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Crystal structure of 2-(4-chloro-benzamido)-benzoic acid.

ABSTRACT: In the title mol-ecule, C14H10ClNO3, the amide C=O bond is anti to the o-carb-oxy substituent in the adjacent benzene ring, a conformation that facilitates the formation of an intra-molecular amide-N-H?O(carbon-yl) hydrogen bond that closes an S(6) loop. The central amide segment is twisted away from the carb-oxy- and chloro-substituted benzene rings by 13.93?(17) and 15.26?(15)°, respectively. The most prominent supra-molecular inter-actions in the crystal packing are carb-oxy-lic acid-H?O(carbox-yl) hydrogen bonds that lead to centrosymmetric dimeric aggregates connected by eight-membered {?HOC=O}2 synthons.

SUBMITTER: Moreno-Fuquen R

PROVIDER: S-EPMC4645063 | biostudies-literature | 2015 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of 2-(4-chloro-benzamido)-benzoic acid.

Moreno-Fuquen Rodolfo R Melo Vanessa V Ellena Javier J

Acta crystallographica. Section E, Crystallographic communications 20151017 Pt 11

In the title mol-ecule, C14H10ClNO3, the amide C=O bond is anti to the o-carb-oxy substituent in the adjacent benzene ring, a conformation that facilitates the formation of an intra-molecular amide-N-H⋯O(carbon-yl) hydrogen bond that closes an S(6) loop. The central amide segment is twisted away from the carb-oxy- and chloro-substituted benzene rings by 13.93 (17) and 15.26 (15)°, respectively. The most prominent supra-molecular inter-actions in the crystal packing are carb-oxy-lic acid-H⋯O(carb ...[more]

PMID: 26594563

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