{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,30]],"date-time":"2026-04-30T10:34:48Z","timestamp":1777545288307,"version":"3.51.4"},"reference-count":40,"publisher":"Walter de Gruyter GmbH","issue":"4","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2017,4,1]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:p>Crystal structures are reported of (<jats:italic>E<\/jats:italic>)-2-(4-hydroxybenzylidene)-2,3-dihydro-1H-inden-1-one, <jats:bold>1<\/jats:bold>, (<jats:italic>E<\/jats:italic>)-2-(4-dimethylaminobenzylidene)-2,3- dihydro-1H-inden-1-one, <jats:bold>2<\/jats:bold>, (<jats:italic>E<\/jats:italic>)-2-(4-cyanobenzylidene)-2,3-dihydro-1H-inden-1-one, <jats:bold>3<\/jats:bold>, and <jats:italic>monoclinic<\/jats:italic>-(<jats:italic>E<\/jats:italic>)- 2-(3-nitrobenzylidene)-2,3-dihydro-1H-inden-1-one, monoclinic-<jats:bold>4<\/jats:bold>, all from data collected at 100 K and (<jats:italic>E<\/jats:italic>)-2-(4-hydroxy-3,5-dimethylbenzylidene)-2,3-dihydro-1H-indan-1-one, <jats:bold>6<\/jats:bold>, from data collected at 299 K. An earlier <jats:italic>triclinic<\/jats:italic> form of <jats:bold>4<\/jats:bold> has been reported. Also reported herein are the Hirshfeld suface calculations for these five compounds, as well as that of 2-(4-methoxybenzylidene)-2,3-dihydro-1H-inden-1-one, <jats:bold>5<\/jats:bold>,whose crystal structure has been previously reported. The three rings in each of the compounds, <jats:bold>1\u20134<\/jats:bold> and <jats:bold>6<\/jats:bold>, are essentially planar, including the five-membered ring containing a formally hydridized sp<jats:sup>3<\/jats:sup> atom. The molecules exhibit slight deviations from overall planarity as shown by the dihedral angles, &gt;8.15(6)\u00b0 between the 2,3-dihydro-1H-inden-1-one fragments and the phenyl fragments. The main intermolecular interactions in compounds <jats:bold>1<\/jats:bold> and are classical O\u2013H\u00b7\u00b7\u00b7O1(carbonyl) hydrogen bonds. The carbonyl oxygen atom in compounds <jats:bold>1\u20134<\/jats:bold> are involved in non-classical C\u2013H\u00b7\u00b7\u00b7O intermolecular hydrogen bonds. Intermolecular C\u2013H---\u03c0 interactions are present in <jats:bold>2<\/jats:bold>, <jats:bold>3<\/jats:bold> and <jats:bold>6<\/jats:bold>, while \u03c0\u00b7\u00b7\u00b7\u03c0 are present in <jats:bold>2\u20134<\/jats:bold> and <jats:bold>6<\/jats:bold>. As noted in the structure determinations of these compounds, different \u03c0\u00b7\u00b7\u00b7\u03c0 motifs are possible. The Hirshfeld surface calculations, while generally concurring with the intermolecular interactions indicated by PLATON analyses, also reveal significant interactions, which fall below the PLATON radar.<\/jats:p>","DOI":"10.1515\/zkri-2016-2020","type":"journal-article","created":{"date-parts":[[2017,3,10]],"date-time":"2017-03-10T10:14:38Z","timestamp":1489140878000},"page":"317-333","source":"Crossref","is-referenced-by-count":4,"title":["Structural studies of (<i>E<\/i>)-2-(benzylidene)- 2,3-dihydro-1H-inden-1-one derivatives: crystal structures and Hirshfeld surface analysis"],"prefix":"10.1515","volume":"232","author":[{"given":"Thomas C.","family":"Baddeley","sequence":"first","affiliation":[{"name":"Department of Chemistry, University of Aberdeen, Meston Walk, Old Aberdeen, AB24 3UE, UK"}]},{"given":"Ligia R.","family":"Gomes","sequence":"additional","affiliation":[{"name":"FP-ENAS-Faculdade de Ci\u00eancias de Sa\u00fade, Escola Superior de Sa\u00fade da UFP, Universidade Fernando Pessoa, Rua Carlos da Maia, 296, P-4200-150 Porto, Portugal"},{"name":"REQUIMTE, Departamento de Qu\u00edmica e Bioqu\u00edmica, Faculdade de Ci\u00eancias da Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007, Porto, Portugal"}]},{"given":"John N.","family":"Low","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Aberdeen, Meston Walk, Old Aberdeen, AB24 3UE, UK"}]},{"given":"Janet M.S.","family":"Skakle","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Aberdeen, Meston Walk, Old Aberdeen, AB24 3UE, UK"}]},{"given":"Alan B.","family":"Turner","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Aberdeen, Meston Walk, Old Aberdeen, AB24 3UE, UK"}]},{"given":"James L.","family":"Wardell","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Aberdeen, Meston Walk, Old Aberdeen, AB24 3UE, UK"},{"name":"Instituto de Tecnologia em F\u00e1rmacos e Farmanguinhos, Funda\u00e7\u00e3o Oswaldo Cruz, 21041-250 Rio de Janeiro, RJ, Brazil"}]},{"given":"Graeme J.R.","family":"Watson","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Aberdeen, Meston Walk, Old Aberdeen, AB24 3UE, UK"}]}],"member":"374","published-online":{"date-parts":[[2017,3,7]]},"reference":[{"key":"2023040104130035431_j_zkri-2016-2020_ref_001_w2aab2b8d107b1b7b1ab2b1b1Aa","unstructured":"D. N. Dhar, The chemistry of chalcones and related compounds, Wiley, New York, 1981."},{"key":"2023040104130035431_j_zkri-2016-2020_ref_002_w2aab2b8d107b1b7b1ab2b1b2Aa","doi-asserted-by":"crossref","unstructured":"J. R. Dimmock, N. M. Kandepu, A. J. Nazarali, T. P. Kowalchuk, N. Motaganahalli, J. W. Quail, P. Mykytiuk, G. F. Audette, L. Prasad, P. Perj\u00e9si, T. M. Allen, C. L. Santos, J. Szydlowski, E. De Clercq, J. Balzarini, Conformational and quantitative structure\u2013activity relationship study of cytotoxic 2-arylidenebenzocycloalkanones. J. Med. Chem. 1999, 42, 1358.","DOI":"10.1021\/jm9806695"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_003_w2aab2b8d107b1b7b1ab2b1b3Aa","doi-asserted-by":"crossref","unstructured":"J. R. Dimmock, G. A. Zello, E. O. Oloo, J. W. Quail, H.-B. Kraatz, P. Perj\u00e9si, F. Aradi, K. Tak\u00e1cs-Nov\u00e1k, T. M. Allen, C. L. Santos, J. Balzarini, E. De Clercq, J. P. Stables, J. Med. Chem. 2002, 45, 3103.","DOI":"10.1021\/jm010559p"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_004_w2aab2b8d107b1b7b1ab2b1b4Aa","doi-asserted-by":"crossref","unstructured":"K. Monostory, V. Tam\u00e1si, L. Vereczkey, P. Perj\u00e9si, A study on CYP1A inhibitory action of E-2-(4\u2032-methoxybenzylidene)-1-benzosuberone and some related chalcones and cyclic chalcone analogues. Toxicology2003, 184, 203.","DOI":"10.1016\/S0300-483X(02)00578-4"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_005_w2aab2b8d107b1b7b1ab2b1b5Aa","doi-asserted-by":"crossref","unstructured":"D. Drutovic, M. Chripkova, M. Pilatova, P. Kruzliak, P. Perj\u00e9si, M. Sarissky, M. Lupi, G. Damia, M. Broggini, J. Mojzis, Benzylidenetetralones, cyclic chalcone analogues, induce cell cycle arrest and apoptosis in HCT116 colorectal cancer cells. Tumour. Biol. 2014, 35, 9967.","DOI":"10.1007\/s13277-014-2289-y"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_006_w2aab2b8d107b1b7b1ab2b1b6Aa","doi-asserted-by":"crossref","unstructured":"Y. Gautam, S. Dwivedi, A. Srivastava, Hamidullah, A. Singh, D. Chanda, J. Singh, S. Rai, R. Konwar, A. S. Negi, 2-(3\u2032,4\u2032-Dimethoxybenzylidene)tetralone induces anti-breast cancer activity through microtubule stabilization and activation of reactive oxygen species. RSC Adv.2016, 6, 33369.","DOI":"10.1039\/C6RA02663J"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_007_w2aab2b8d107b1b7b1ab2b1b7Aa","doi-asserted-by":"crossref","unstructured":"S. W. Yee, L. Jarno, M. S. Gomaa, C. Elford, L.-L. Ooi, M. P. Coogan, R. McClelland, R. I. Nicholson, B. A. J. Evans, A. Brancale, C. Simons, Novel tetralone-derived retinoic acid metabolism blocking agents: synthesis and in vitro evaluation with liver microsomal and MCF-7 CYP26A1 cell assays. J. Med. Chem. 2005, 48, 7123.","DOI":"10.1021\/jm0501681"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_008_w2aab2b8d107b1b7b1ab2b1b8Aa","doi-asserted-by":"crossref","unstructured":"R. Bansal, G. Narang, C. Zimmer, R. W. Hartmann, Synthesis of some imidazolyl-substituted 2-benzylidene indanone derivatives as potent aromatase inhibitors for breast cancer therapy. Med. Chem. Res. 2011, 20, 661.","DOI":"10.1007\/s00044-010-9368-4"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_009_w2aab2b8d107b1b7b1ab2b1b9Aa","doi-asserted-by":"crossref","unstructured":"A. Singh, K. Fatima, A. Singh, A. Behl, M. J. Mintoo, M. Hasanain. R. Ashraf, S. Luqman, K. Shanker, D. M. Mondhe, J. Sarkar, D. Chanda, A. S. Negi, Anticancer activity and toxicity profiles of 2-benzylidene indanone lead molecule. Eur. J. Pharm. Sci. 2015, 76, 57.","DOI":"10.1016\/j.ejps.2015.04.020"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_010_w2aab2b8d107b1b7b1ab2b1c10Aa","doi-asserted-by":"crossref","unstructured":"V. Gundogdu-Karaburun, A. Cagri Karaburun, S. Demirayak, I. Kayagil, L. Yurttas, Synthesis and Anticancer Activity of Some 2-[3\/4-(2-Substituted phenyl-2- oxoethoxy)benzylidene]-6-substituted-2,3-dihydro-1H-inden-1-one derivatives, Lett Drug Des. Disc.2014, 11, 578.","DOI":"10.2174\/1570180811666140403001212"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_011_w2aab2b8d107b1b7b1ab2b1c11Aa","doi-asserted-by":"crossref","unstructured":"A. P. Prakasham, A. K. Saxena, S. Luqman, D. Chanda, T. Kaur, A. Gupta, D. K. Yadav, C. S. Chanotiya, K. Shanker, F. Khan, A. S. Negi, Synthesis and anticancer activity of 2-benzylidene indanones through inhibiting tubulin polymerization. Bioorg. Med. Chem. 2012, 20, 3049.","DOI":"10.1016\/j.bmc.2012.02.057"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_012_w2aab2b8d107b1b7b1ab2b1c12Aa","doi-asserted-by":"crossref","unstructured":"D. Chanda, S. Bhushan, S. K. Guru, K. Shanker, Z. A. Wani, B. A. Rah, S. Luqman, D. M. Mondhe, A. Pal, A. S. Negi, Anticancer activity, toxicity and pharmacokinetic profile of an indanone derivative. Eur. J. Pharm. Sci. 2012, 47, 988.","DOI":"10.1016\/j.ejps.2012.08.013"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_013_w2aab2b8d107b1b7b1ab2b1c13Aa","unstructured":"A. S. Negi, A. P. Prakasham, A. K. Saxena, S. Luqman, D. Chanda, T. Kaur, A. Gupta, Anticancer and tubulin polymerisation activity of benzylidene Indanones and the process of preparing the same. US Patent Granted no. US8633242 B2, January 21, 2014."},{"key":"2023040104130035431_j_zkri-2016-2020_ref_014_w2aab2b8d107b1b7b1ab2b1c14Aa","doi-asserted-by":"crossref","unstructured":"P. Perj\u00e9si, K. Tak\u00e1cs-Nov\u00e1k, Z. Rozmer, P. Soh\u00e1r, R. Bozak, T. Allen, Comparison of structure, logP and P388 cytotoxicity of some phenyl and ferrocenyl cyclic chalcone analogues. Application of RP-TLC for logP determination of the ferrocenyl analogues. Cent. Eur. J. Chem. 2012, 10, 1500.","DOI":"10.2478\/s11532-012-0088-0"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_015_w2aab2b8d107b1b7b1ab2b1c15Aa","doi-asserted-by":"crossref","unstructured":"T. M. Al-Nakib, P. Perj\u00e9si, R. Varghese, M. J. Meegan, Benzylideneindanones and benzylidenebenzosuberones: relationship between structure, antimycotic activity and acute toxicity. Med. Princ. Pract. 1997, 6, 14.","DOI":"10.1159\/000157418"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_016_w2aab2b8d107b1b7b1ab2b1c16Aa","unstructured":"G. J. R. Watson, A. B. Turner, S. Allen, Organic materials for non-linearOPtics III. Special Publication-RSC1993, 137, 112."},{"key":"2023040104130035431_j_zkri-2016-2020_ref_017_w2aab2b8d107b1b7b1ab2b1c17Aa","doi-asserted-by":"crossref","unstructured":"N. L. Silver, D. W. Boykin Jr., Substituent effects on the carbonyl stretching frequency of chalcones. J. Org. Chem. 1970, 35, 759.","DOI":"10.1021\/jo00828a048"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_018_w2aab2b8d107b1b7b1ab2b1c18Aa","doi-asserted-by":"crossref","unstructured":"A. Perjessy, D. W. Boykin Jr., L. Fisera, A. Krutosikov\u00e1, J. Kovac, Carbonyl stretching frequencies and transmission of electronic effects in 1-phenyl-3-(5-aryl-2-furyl)propenones and 1-phenyl-3-(5-aryl-2-thienyl)propenones. J. Org. Chem. 1973, 38, 1807.","DOI":"10.1021\/jo00950a008"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_019_w2aab2b8d107b1b7b1ab2b1c19Aa","doi-asserted-by":"crossref","unstructured":"E. Sol\u2019aniova, S. Toma, S. Gronowitz, Investigation of substituent effects of chalcones by 13C n.m.r. spectroscopy. Org. Magn. Res. 1976, 8, 439.","DOI":"10.1002\/mrc.1270080902"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_020_w2aab2b8d107b1b7b1ab2b1c20Aa","doi-asserted-by":"crossref","unstructured":"P. Perj\u00e9si, A. Perj\u00e9ssy, E. Kolehmainen, E. \u00d6sz, M. Samalikov\u00e1, J. Linnanto, E. Virtanen, E-2-Benzylidenebenzocycloalkanones III. Studies on transmission of substituent effects on IR carbonyl stretching frequencies and 13C NMR chemical shifts of E-2-(X-benzylidene)-1-indanones. Comparison with the IR data of E-2-(X-benzylidene)-1-indanones, -tetralones, and \u2013benzosuberones. J. Mol. Struct. 2004, 697, 41.","DOI":"10.1016\/j.molstruc.2004.02.006"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_021_w2aab2b8d107b1b7b1ab2b1c21Aa","doi-asserted-by":"crossref","unstructured":"P. Perj\u00e9si, J. Linnanto, E. Kolehmainen, E. E. \u00d6sz, E. Virtanen, E-2-Benzylidenebenzo-cycloalkanones. IV. Studies on transmission of substituent effects on 13C NMR chemical shifts of E-2-(X-benzylidene)-1-tetralones, and -benzosuberones. Comparison with the 13C NMR data of chalcones and E-2-(X-benzylidene)-1-indanones. J. Mol. Struct. 2005, 740, 81.","DOI":"10.1016\/j.molstruc.2004.10.013"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_022_w2aab2b8d107b1b7b1ab2b1c22Aa","doi-asserted-by":"crossref","unstructured":"J. Harada, M. Harakawa, S. Sugiyama, K. Ogawa, Single crystal cis\u2013trans-photoisomerizations of 2-(9-anthrylmethylene)-1-indanones. CrystEngComm.2009, 11, 1235.","DOI":"10.1039\/b821900a"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_023_w2aab2b8d107b1b7b1ab2b1c23Aa","doi-asserted-by":"crossref","unstructured":"P. Perj\u00e9si, (E)-2-Benzylidenebenzocyclanones: part XIII \u2013 (\u2013 (E)\/(Z)-Isomerization of some cyclic chalcone analogues. Effect of ring size on lipophilicity of geometric isomers. Monatsh Chem. 2015, 146, 1275.","DOI":"10.1007\/s00706-015-1463-2"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_024_w2aab2b8d107b1b7b1ab2b1c24Aa","doi-asserted-by":"crossref","unstructured":"M. A. Ali, R. Ismail, T. S. Choon, W.-S. Loh, H. K. Fun, 2-[(E)-4-(Diethylamino)benzylidene]indan-1-one. Acta Crystallogr. 2011, E67, o1983.","DOI":"10.1107\/S160053681102664X"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_025_w2aab2b8d107b1b7b1ab2b1c25Aa","unstructured":"I. A.Guzei, H.Schenck, CCDC 863399: Experimental Crystal Structure Determination, 2012, DOI: 10.5517\/ccxzflw: Deposited on: 17\/1\/2012."},{"key":"2023040104130035431_j_zkri-2016-2020_ref_026_w2aab2b8d107b1b7b1ab2b1c26Aa","doi-asserted-by":"crossref","unstructured":"A. M. Asiri, H. M. Faidallah, K. F. Al-Nemari, S. W. Ng, E. R. T. Tiekink, (2E)-2-(4-Methoxybenzylidene)-2,3-dihydro-1H-inden-1-one. Acta Crystallogr. 2012, E68, o815.","DOI":"10.1107\/S1600536812006940"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_027_w2aab2b8d107b1b7b1ab2b1c27Aa","doi-asserted-by":"crossref","unstructured":"G. Narang, D. P. Jindal, B. Jit, R. Bansal, Formation of dimers of some 2-substituted indan-1-one derivatives. Helv. Chim. Acta2006, 89, 258.","DOI":"10.1002\/hlca.200690028"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_028_w2aab2b8d107b1b7b1ab2b1c28Aa","doi-asserted-by":"crossref","unstructured":"V. Tome\u010dkov\u00e1, J. Guzy, J. Ku\u0161n\u00edr, K. Fodor, M. Marekov\u00e1, Z. Chavkov\u00e1, P. Perj\u00e9si, Comparison of the effects of selected chalcones, dihydrochalcones and some cyclic flavonoids on mitochondrial outer membrane determined by fluorescence spectroscopy. J. Biochem. Biophys. Meth2006, 69, 143.","DOI":"10.1016\/j.jbbm.2006.05.004"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_029_w2aab2b8d107b1b7b1ab2b1c29Aa","doi-asserted-by":"crossref","unstructured":"A. L. Spek, Structure validation in chemical crystallography. Acta Crystallogr. 2009, D65, 148.","DOI":"10.1107\/S090744490804362X"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_030_w2aab2b8d107b1b7b1ab2b1c30Aa","doi-asserted-by":"crossref","unstructured":"J. Bernstein, R. E. Davis, L. Shimoni, N. L. Chang, Patterns in hydrogen bonding: functionality and graph set analysis in crystals. Angew. Chem. Int. Ed. Engl. 1995, 34, 1555.","DOI":"10.1002\/anie.199515551"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_031_w2aab2b8d107b1b7b1ab2b1c31Aa","doi-asserted-by":"crossref","unstructured":"H. M. Sim, K. Y. Loh, W. K. Yeo, C. Y. Lee, M. L. Go, Aurones as modulators of ABCG2 and ABCB1: synthesis and structure\u2013activity relationships. ChemMedChem. 2011, 6, 713.","DOI":"10.1002\/cmdc.201000520"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_032_w2aab2b8d107b1b7b1ab2b1c32Aa","doi-asserted-by":"crossref","unstructured":"A. L. Rohl, M. Moret, W. Kaminsky, K. Claborn, J. J. McKinnon, B. Kahr, Hirshfeld surfaces identify inadequacies in computations of intermolecular interactions in crystals: pentamorphic 1,8-dihydroxyanthraquinone. Cryst. Growth Des.2008, 8, 4517.","DOI":"10.1021\/cg8005212"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_033_w2aab2b8d107b1b7b1ab2b1c33Aa","unstructured":"S. K. Wolff, D. I. Grimwood, J. J. McKinnon, M. J. Turner, D. Jayatilaka, M. A. Spackman, Crystal explorer, The University of Western Australia, 2012."},{"key":"2023040104130035431_j_zkri-2016-2020_ref_034_w2aab2b8d107b1b7b1ab2b1c34Aa","unstructured":"CrysAlis PRO 1.171.38.41 (Rigaku Oxford Diffraction, 2015): http:\/\/www.rigaku.com\/en\/rigakuoxford."},{"key":"2023040104130035431_j_zkri-2016-2020_ref_035_w2aab2b8d107b1b7b1ab2b1c35Aa","unstructured":"Bruker. SADABS (Version 2.03) and SAINT (Version 6.02a). Bruker AXS Inc., Madison, Wisconsin, USA, 2000."},{"key":"2023040104130035431_j_zkri-2016-2020_ref_036_w2aab2b8d107b1b7b1ab2b1c36Aa","doi-asserted-by":"crossref","unstructured":"P. McArdle, K. Gilligan, D. Cunningham, R. Dark, M. Mahon, A method for the prediction of the crystal structure of ionic organic compounds \u2013 the crystal structures of o-toluidinium chloride and bromide and polymorphism of bicifadine hydrochloride. CrystEngComm. 2004, 6, 303.","DOI":"10.1039\/B407861F"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_037_w2aab2b8d107b1b7b1ab2b1c37Aa","doi-asserted-by":"crossref","unstructured":"G. M. Sheldrick, A short history of SHELX. Acta Crystallogr. 2008, A64, 112.","DOI":"10.1107\/S0108767307043930"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_038_w2aab2b8d107b1b7b1ab2b1c38Aa","doi-asserted-by":"crossref","unstructured":"C. B. H\u00fcbschle, G. M. Sheldrick, B. Dittrich, ShelXle: a Qt graphical user interface for SHELXL. J. Appl. Crystallogr.2011, 44, 1281.","DOI":"10.1107\/S0021889811043202"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_039_w2aab2b8d107b1b7b1ab2b1c39Aa","doi-asserted-by":"crossref","unstructured":"G. M. Sheldrick, SHELXT\u2013 Integrated space-group and crystal-structure determination. Acta Crystallogr. 2015, A71, 3.","DOI":"10.1107\/S2053273314026370"},{"key":"2023040104130035431_j_zkri-2016-2020_ref_040_w2aab2b8d107b1b7b1ab2b1c40Aa","unstructured":"MERCURY 3.3.8. CCDC (2016)."}],"container-title":["Zeitschrift f\u00fcr Kristallographie - Crystalline Materials"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/www.degruyter.com\/view\/j\/zkri.2017.232.issue-4\/zkri-2016-2020\/zkri-2016-2020.xml","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.degruyter.com\/document\/doi\/10.1515\/zkri-2016-2020\/xml","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.degruyter.com\/document\/doi\/10.1515\/zkri-2016-2020\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,2]],"date-time":"2023-04-02T18:16:35Z","timestamp":1680459395000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.degruyter.com\/document\/doi\/10.1515\/zkri-2016-2020\/html"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2017,3,7]]},"references-count":40,"journal-issue":{"issue":"4","published-online":{"date-parts":[[2017,1,7]]},"published-print":{"date-parts":[[2017,4,1]]}},"alternative-id":["10.1515\/zkri-2016-2020"],"URL":"https:\/\/doi.org\/10.1515\/zkri-2016-2020","relation":{},"ISSN":["2196-7105","2194-4946"],"issn-type":[{"value":"2196-7105","type":"electronic"},{"value":"2194-4946","type":"print"}],"subject":[],"published":{"date-parts":[[2017,3,7]]}}}