{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,30]],"date-time":"2026-07-30T15:00:39Z","timestamp":1785423639864,"version":"3.56.0"},"reference-count":26,"publisher":"International Union of Crystallography (IUCr)","issue":"2","license":[{"start":{"date-parts":[[2025,1,14]],"date-time":"2025-01-14T00:00:00Z","timestamp":1736812800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2025,1,14]],"date-time":"2025-01-14T00:00:00Z","timestamp":1736812800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr E Cryst Commun","Acta Cryst E","Acta Cryst Sect E","Acta Crystallogr E","Acta Crystallogr Sect E","Acta Cryst E Cryst Commun","Acta Cryst Sect E Cryst Commun"],"accepted":{"date-parts":[[2025,1,8]]},"published-print":{"date-parts":[[2025,2,1]]},"abstract":"<jats:p>\n                    The reaction of one equivalent of zinc(II) halide salts with two equivalents of isoquinoline\n                    <jats:italic>N<\/jats:italic>\n                    -oxide (iQNO; C\n                    <jats:sub>9<\/jats:sub>\n                    H\n                    <jats:sub>7<\/jats:sub>\n                    NO) in methanol yields compounds of the general formula [Zn\n                    <jats:italic>X<\/jats:italic>\n                    <jats:sub>2<\/jats:sub>\n                    (iQNO)\n                    <jats:sub>2<\/jats:sub>\n                    ], with\n                    <jats:italic>X<\/jats:italic>\n                    = Cl\n                    <jats:sup>\u2212<\/jats:sup>\n                    (\n                    <jats:bold>I<\/jats:bold>\n                    ), Br\n                    <jats:sup>\u2212<\/jats:sup>\n                    (\n                    <jats:bold>II<\/jats:bold>\n                    ) and I\n                    <jats:sup>\u2212<\/jats:sup>\n                    (\n                    <jats:bold>III<\/jats:bold>\n                    ). However, starting with zinc(II) perchlorate or nitrate leads to the formation of complex ions with the compositions [Zn(iQNO)\n                    <jats:sub>6<\/jats:sub>\n                    ](\n                    <jats:italic>X<\/jats:italic>\n                    )\n                    <jats:sub>2<\/jats:sub>\n                    for\n                    <jats:italic>X<\/jats:italic>\n                    = ClO\n                    <jats:sub>4<\/jats:sub>\n                    <jats:sup>\u2212<\/jats:sup>\n                    (\n                    <jats:bold>IV<\/jats:bold>\n                    ), and [Zn(iQNO)(H\n                    <jats:sub>2<\/jats:sub>\n                    O)\n                    <jats:sub>5<\/jats:sub>\n                    ](iQNO)\n                    <jats:sub>2<\/jats:sub>\n                    <jats:italic>X<\/jats:italic>\n                    <jats:sub>2<\/jats:sub>\n                    for\n                    <jats:italic>X<\/jats:italic>\n                    = NO\n                    <jats:sub>3<\/jats:sub>\n                    <jats:sup>\u2212<\/jats:sup>\n                    (\n                    <jats:bold>V<\/jats:bold>\n                    ). Complexes (\n                    <jats:bold>I<\/jats:bold>\n                    ), (\n                    <jats:bold>II<\/jats:bold>\n                    ) and (\n                    <jats:bold>III<\/jats:bold>\n                    ), namely dichloridobis(isoquinoline\n                    <jats:italic>N<\/jats:italic>\n                    -oxide-\u03ba\n                    <jats:italic>O<\/jats:italic>\n                    )zinc(II) [ZnCl\n                    <jats:sub>2<\/jats:sub>\n                    (C\n                    <jats:sub>9<\/jats:sub>\n                    H\n                    <jats:sub>7<\/jats:sub>\n                    NO)\n                    <jats:sub>2<\/jats:sub>\n                    ], dibromidobis(isoquinoline\n                    <jats:italic>N<\/jats:italic>\n                    -oxide-\u03ba\n                    <jats:italic>O<\/jats:italic>\n                    )zinc(II) [ZnBr\n                    <jats:sub>2<\/jats:sub>\n                    (C\n                    <jats:sub>9<\/jats:sub>\n                    H\n                    <jats:sub>7<\/jats:sub>\n                    NO)\n                    <jats:sub>2<\/jats:sub>\n                    ], and diiodidobis(isoquinoline\n                    <jats:italic>N<\/jats:italic>\n                    -oxide-\u03ba\n                    <jats:italic>O<\/jats:italic>\n                    )zinc(II) [ZnI\n                    <jats:sub>2<\/jats:sub>\n                    (C\n                    <jats:sub>9<\/jats:sub>\n                    H\n                    <jats:sub>7<\/jats:sub>\n                    NO)\n                    <jats:sub>2<\/jats:sub>\n                    ], each exhibit a distorted tetrahedral coordination geometry around the zinc(II) ion coordinated by two iQNO ligands bound through the oxygen atom and two halide ions. The zinc ion lies on a crystallographic twofold axis in the bromo complex. The\n                    <jats:italic>X<\/jats:italic>\n                    \u2014Zn\u2014\n                    <jats:italic>X<\/jats:italic>\n                    bond angles are approximately 15\u201317\u00b0 larger than the O\u2014Zn\u2014O bond angles resulting in the observed tetrahedral distortion. In complex (\n                    <jats:bold>IV<\/jats:bold>\n                    ), hexakis(isoquinoline\n                    <jats:italic>N<\/jats:italic>\n                    -oxide-\u03ba\n                    <jats:italic>O<\/jats:italic>\n                    )zinc(II) bis(perchlorate), [Zn(C\n                    <jats:sub>9<\/jats:sub>\n                    H\n                    <jats:sub>7<\/jats:sub>\n                    NO)\n                    <jats:sub>6<\/jats:sub>\n                    ](ClO\n                    <jats:sub>4<\/jats:sub>\n                    )\n                    <jats:sub>2<\/jats:sub>\n                    , the zinc(II) ion occupies a special position with\n                    <jats:overline>3<\/jats:overline>\n                    site symmetry and is octahedrally coordinated by six iQNO ligands, albeit with slight distortions evidenced by a spread of\n                    <jats:italic>cis<\/jats:italic>\n                    bond angles from 85.82\u2005(4) to 94.18\u2005(4)\u00b0. The chlorine atom of the perchlorate anion lies on a crystallographic threefold axis. Finally, complex (\n                    <jats:bold>V<\/jats:bold>\n                    ) crystallizes with a pseudo-octahedral geometry; pentaaqua(isoquinoline\n                    <jats:italic>N<\/jats:italic>\n                    -oxide-\u03ba\n                    <jats:italic>O<\/jats:italic>\n                    )zinc(II) dinitrate\u2013isoquinoline\n                    <jats:italic>N<\/jats:italic>\n                    -oxide (1\/2), [Zn(C\n                    <jats:sub>9<\/jats:sub>\n                    H\n                    <jats:sub>7<\/jats:sub>\n                    NO)(H\n                    <jats:sub>2<\/jats:sub>\n                    O)\n                    <jats:sub>5<\/jats:sub>\n                    ](NO\n                    <jats:sub>3<\/jats:sub>\n                    )\n                    <jats:sub>2<\/jats:sub>\n                    \u00b72(C\n                    <jats:sub>9<\/jats:sub>\n                    H\n                    <jats:sub>7<\/jats:sub>\n                    NO). The nitrate ions and non-coordinated iQNO molecules engage in \u03c0-stacking and hydrogen-bonding interactions with the coordinated water molecules. The iQNO\u2014Zn\u2014O equatorial bond angles range from 88.98\u2005(9) to 94.90\u2005(9)\u00b0, with the largest deviation from a perfect octahedral angle attributed to the influence of a weak C\u2014H...O (from water) interaction (2.287\u2005\u00c5) involving the bound iQNO ligand.\n                  <\/jats:p>","DOI":"10.1107\/s2056989025000180","type":"journal-article","created":{"date-parts":[[2025,1,10]],"date-time":"2025-01-10T03:28:34Z","timestamp":1736479714000},"page":"132-139","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":2,"title":["Crystal structures of zinc(II) coordination complexes with isoquinoline\n                    <i>N<\/i>\n                    -oxide"],"prefix":"10.1107","volume":"81","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-0104-4577","authenticated-orcid":true,"given":"Erin N.","family":"Groneck","sequence":"first","affiliation":[{"id":[{"id":"https:\/\/ror.org\/04agmb972","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nathan","family":"Peek","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/04agmb972","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3494-8652","authenticated-orcid":true,"given":"Will E.","family":"Lynch","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/04agmb972","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8373-1495","authenticated-orcid":true,"given":"Clifford W.","family":"Padgett","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/04agmb972","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2025,1,14]]},"reference":[{"key":"hb8119_bb1","doi-asserted-by":"crossref","first-page":"568","DOI":"10.1038\/s44160-024-00528-2","volume":"3","author":"Ang","year":"2024","journal-title":"Nat. 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