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Crystal structures of three zinc(II) halide coordination complexes with quinoline N-oxide.

ABSTRACT: The reaction of one equivalent of zinc(II) halide with two equivalents of quinoline N-oxide (QNO) in methanol yields compounds as ZnX ₂(QNO)₂, where X = Cl (I), Br (II) and I (III), namely, di-chlorido-bis-(quinoline N-oxide-κO)zinc(II), [ZnCl₂(C₉H₇NO)₂], di-bromido-bis-(quinoline N-oxide-κO)zinc(II), [ZnBr₂(C₉H₇NO)₂], and di-iodido-bis-(quinoline N-oxide-κO)zinc(II) [ZnI₂(C₉H₇NO)₂]. In all three complexes, Zn cations are coordinated by two QNO ligands bound through the oxygen atoms and two halide atoms, with X-Zn-X bond angles ca 20° wider than the O-Zn-O, giving rise to a distorted tetra-hedral geometry. Crystals of (II) and (III) are isostructural and both show pairwise π-stacking of QNO ligands and weak C-H⋯X hydrogen bonds, while (I) packs differently, with a shorter C-H⋯Cl bond and without π-stacking.

SUBMITTER: Padgett CW

PROVIDER: S-EPMC9260350 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature

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Crystal structures of three zinc(II) halide coordination complexes with quinoline N-oxide.

Padgett Clifford W CW Lynch Will E WE Groneck Erin N EN Raymundo Melina M Adams Desiree D

Acta crystallographica. Section E, Crystallographic communications 20220610 Pt 7

The reaction of one equivalent of zinc(II) halide with two equivalents of quinoline N-oxide (QNO) in methanol yields compounds as ZnX 2(QNO)2, where X = Cl (I), Br (II) and I (III), namely, di-chlorido-bis-(quinoline N-oxide-κO)zinc(II), [ZnCl2(C9H7NO)2], di-bromido-bis-(quinoline N-oxide-κO)zinc(II), [ZnBr2(C9H7NO)2], ...[more]

PMID: 35855361

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Project description:The reaction of one equivalent of zinc(II) halide salts with two equivalents of iso-quinoline N-oxide (iQNO; C9H7NO) in methanol yields compounds of the general formula [ZnX 2(iQNO)2], with X = Cl- (I), Br- (II) and I- (III). However, starting with zinc(II) perchlorate or nitrate leads to the formation of complex ions with the compositions [Zn(iQNO)6](X)2 for X = ClO4 - (IV), and [Zn(iQNO)(H2O)5](iQNO)2 X 2 for X = NO3 - (V). Complexes (I), (II) and (III), namely di-chlorido-bis-(iso-quinoline N-oxide-κO)zinc(II) [ZnCl2(C9H7NO)2], di-bromido-bis-(iso-quinoline N-oxide-κO)zinc(II) [ZnBr2(C9H7NO)2], and di-iodido-bis-(iso-quinoline N-oxide-κO)zinc(II) [ZnI2(C9H7NO)2], each exhibit a distorted tetra-hedral 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 X-Zn-X bond angles are approximately 15-17° larger than the O-Zn-O bond angles resulting in the observed tetra-hedral distortion. In complex (IV), hexa-kis-(iso-quinoline N-oxide-κO)zinc(II) bis-(perchlorate), [Zn(C9H7NO)6](ClO4)2, the zinc(II) ion occupies a special position with 3 site symmetry and is octa-hedrally coordinated by six iQNO ligands, albeit with slight distortions evidenced by a spread of cis bond angles from 85.82 (4) to 94.18 (4)°. The chlorine atom of the perchlorate anion lies on a crystallographic threefold axis. Finally, complex (V) crystallizes with a pseudo-octa-hedral geometry; penta-aqua-(iso-quinoline N-oxide-κO)zinc(II) dinitrate-iso-quinoline N-oxide (1/2), [Zn(C9H7NO)(H2O)5](NO3)2·2(C9H7NO). The nitrate ions and non-coordin-ated iQNO mol-ecules engage in π-stacking and hydrogen-bonding inter-actions with the coordinated water mol-ecules. The iQNO-Zn-O equatorial bond angles range from 88.98 (9) to 94.90 (9)°, with the largest deviation from a perfect octa-hedral angle attributed to the influence of a weak C-H⋯O (from water) inter-action (2.287 Å) involving the bound iQNO ligand.

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Crystal structures of three zinc(II) halide coordination complexes with quinoline N-oxide.

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Crystal structures of three zinc(II) halide coordination complexes with quinoline <i>N</i>-oxide.

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