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2‐Chloro‐4‐nitrobenzoic acid as a coformer with pharmaceutical cocrystals and molecular salts
Author(s) -
Lemmerer Andreas
Publication year - 2020
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/s205322962000875x
Subject(s) - chemistry , isonicotinamide , hydrogen bond , intermolecular force , combinatorial chemistry , organic chemistry , medicinal chemistry , molecule
A series of five binary complexes, i.e. three cocrystals and two molecular salts, using 2‐chloro‐4‐nitrobenzoic acid as a coformer have been produced with five commonly available compounds, some of pharmaceutical relevance, namely, 2‐chloro‐4‐nitrobenzoic acid–isonicotinamide (1/1), C 7 H 4 ClNO 4 ·C 6 H 6 N 2 O, 2‐chloro‐4‐nitrobenzoic acid–3,3‐diethylpyridine‐2,4(1 H ,3 H )‐dione (2/1), 2C 7 H 4 ClNO 4 ·C 9 H 13 NO 2 , 2‐chloro‐4‐nitrobenzoic acid–pyrrolidin‐2‐one (1/1), C 7 H 4 ClNO 4 ·C 4 H 7 NO, 2‐carboxypiperidinium 2‐chloro‐4‐nitrobenzoate, C 6 H 12 NO 2 − ·C 7 H 3 ClNO 4 − , and (2‐hydroxyethyl)ammonium 2‐chloro‐4‐nitrobenzoate, C 2 H 8 NO + ·C 7 H 3 ClNO 4 − . The coformer falls under the classification of a `generally regarded as safe' compound. All five complexes make use of a number of different heteromeric hydrogen‐bonded interactions. Intermolecular potentials were evaluated using the CSD‐Materials module.