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4-[(2-Chloro-ethyl)amino]quinolinium chloride monohydrate.

ABSTRACT: In the title salt hydrate, C(11)H(12)ClN(2) (+)·Cl(-)·H(2)O, the quinolin-ium core is essentially planar (r.m.s. deviation = 0.027?Å) with the chloro-ethyl side chain being almost orthogonal to the core [C-N-C-C torsion angle = -80.0?(3)°]. In the crystal packing, the water mol-ecule bridges three species, forming donor inter-actions to two chloride anions and accepting a hydrogen bond from the quinolinium H atom. The chloride anion accepts a hydrogen bond from the amine N atom with the result that a two-dimensional supra-molecular array is formed in the ac plane. A C-H?Cl interaction also occurs.

SUBMITTER: de Souza MV

PROVIDER: S-EPMC2971810 | biostudies-other | 2009 Nov

REPOSITORIES: biostudies-other

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4-[(2-Chloro-ethyl)amino]quinolinium chloride monohydrate.

de Souza Marcus V N MV Tiekink Edward R T ER Wardell James L JL Wardell Solange M S V SM

Acta crystallographica. Section E, Structure reports online 20091121 Pt 12

In the title salt hydrate, C(11)H(12)ClN(2) (+)·Cl(-)·H(2)O, the quinolin-ium core is essentially planar (r.m.s. deviation = 0.027 Å) with the chloro-ethyl side chain being almost orthogonal to the core [C-N-C-C torsion angle = -80.0 (3)°]. In the crystal packing, the water mol-ecule bridges three species, forming donor inter-actions to two chloride anions and accepting a hydrogen bond from the quinolinium H atom. The chloride anion accepts a hydrogen bond from the amine N atom with the result t ...[more]

PMID: 21578845

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