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The structural properties of a noncentrosymmetric polymorph of 4‐aminobenzoic acid
Author(s) -
BenaliCherif Rim,
Takouachet Radhwane,
Bendeif ElEulmi,
BenaliCherif Nourredine
Publication year - 2014
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.304
H-Index - 17
ISSN - 2053-2296
DOI - 10.1107/s2053229614002447
Subject(s) - benzene , ring (chemistry) , hydrogen bond , crystallography , bent molecular geometry , molecule , chemistry , crystal structure , stack (abstract data type) , crystal (programming language) , aminobenzoic acid , stereochemistry , medicinal chemistry , organic chemistry , computer science , programming language
The crystal structure of a polymorph of 4‐aminobenzoic acid (PABA), C 7 H 7 NO 2 , at 100 K is noncentrosymmetric, as opposed to centrosymmetric in the structures of the other known polymorphs. The two crystallographically independent PABA molecules form pseudocentrosymmetric O—H...O hydrogen‐bonded dimers that are further linked by N—H...O hydrogen bonds into a three‐dimensional network. The benzene rings stack in the b direction. The CO 2 moieties are bent out slightly from the benzene ring plane.