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1-(2,3-Di-hydroxy-prop-yl)-4-{2-[4-(di-methyl-amino)-phen-yl]vin-yl}pyridinium chloride.

ABSTRACT: The title compound, C18H23N2O2 (+)·Cl(-), crystallizes with two independent cations and anions per cell. Each cation has twofold rotational disorder about the linking vinyl groups but with unequal occupancies [0.963?(5):0.037?(5) and 0.860?(8):0.140?(8)]. The two independent cations are close to being related by an inversion centre but the data does not support the expected centrosymmetric space-group assignment. The conclusion is that the differing rotational disorder has lead to an overall non-centrosymmetric lattice. In the crystal, the mol-ecules pack in layers parallel to (133) and (-13-3), chain-linked with motif C (1) 2(7) by the di-hydroxy-propyl O-H?Cl?H-O hydrogen bonds. Other lattice binding is provided by O-H?Cl, C-H?Cl and C-H?N inter-actions.

SUBMITTER: Gainsford GJ

PROVIDER: S-EPMC3914108 | biostudies-literature | 2014 Jan

REPOSITORIES: biostudies-literature

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1-(2,3-Di-hydroxy-prop-yl)-4-{2-[4-(di-methyl-amino)-phen-yl]vin-yl}pyridinium chloride.

Gainsford Graeme J GJ Bhuiyan M Delower H MD Kay Andrew J AJ

Acta crystallographica. Section E, Structure reports online 20131221 Pt 1

The title compound, C18H23N2O2 (+)·Cl(-), crystallizes with two independent cations and anions per cell. Each cation has twofold rotational disorder about the linking vinyl groups but with unequal occupancies [0.963 (5):0.037 (5) and 0.860 (8):0.140 (8)]. The two independent cations are close to being related by an inversion centre but the data does not support the expected centrosymmetric space-group assignment. The conclusion is that the differing rotational disorder has lead to an overall non ...[more]

PMID: 24527014

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