JOURNAL ARTICLE

Cinnarizinium 3,5-dinitrosalicylate

A.S. DayanandaH.S. YathirajanThomas GerberEric C. HostenRichard Betz

Year: 2012 Journal:   Acta Crystallographica Section E Structure Reports Online Vol: 68 (4)Pages: o1165-o1166   Publisher: International Union of Crystallography

Abstract

The title compound [systematic name: 4-diphenylmethyl-1-(3-phenylprop-2-en-1-yl)-piperazin-1-ium 2-carboxy-4,6-dinitrophenolate], C 26 H 29 N 2 + ·C 7 H 3 N 2 O 7 − , is the dinitrosalicylate salt of a tertiary amine. Deprotonation of the carboxylic acid group occurred on the phenolic hydroxy group. The diazacyclohexane ring adopts a chair conformation. Intramolecular O—H...O and intermolecular C—H...O and N—H...O hydrogen bonds are observed. The N—H...O hydrogen bonds are bifurcated at the H atom and connect the cinnarizinium and 3,5-dinitrosalicylate ions together. Intermolecular C—H...O hydrogen bonds connect the components into layers perpendicular to the crystallographic a axis.

Keywords:
Hydrogen bond Chemistry Ring (chemistry) Deprotonation Salt (chemistry) Amine gas treating Bioinformatics Crystallography Medicinal chemistry Ion Molecule Stereochemistry Organic chemistry

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0.70
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11
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0.71
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Citation History

Topics

Crystal structures of chemical compounds
Physical Sciences →  Chemistry →  Inorganic Chemistry
Crystallography and molecular interactions
Physical Sciences →  Chemistry →  Physical and Theoretical Chemistry
Structural and Chemical Analysis of Organic and Inorganic Compounds
Physical Sciences →  Chemistry →  Organic Chemistry

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