Crystal structure of 5-chloro-N1-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine

The title compound, C15H13ClN4, crystallizes with two independent molecules (A and B) in the asymmetric unit, which are far from planar as a result of steric repulsion between the rings. The benzene and phenyl rings are inclined to the central pyrazole ring by 46.64 (10) and 17.87 (10)° in molecule...

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Bibliographic Details
Main Authors: Yegor Yartsev, Vitaliy Palchikov, Alexandr Gaponov, Svitlana Shishkina
Format: Article
Language:English
Published: International Union of Crystallography 2017-06-01
Series:Acta Crystallographica Section E: Crystallographic Communications
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Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989017007381
Description
Summary:The title compound, C15H13ClN4, crystallizes with two independent molecules (A and B) in the asymmetric unit, which are far from planar as a result of steric repulsion between the rings. The benzene and phenyl rings are inclined to the central pyrazole ring by 46.64 (10) and 17.87 (10)° in molecule A, and by 40.02 (10) and 14.18 (10)° in molecule B. The aromatic rings are inclined to one another by 58.77 (9)° in molecule A, and 36.95 (8)° in molecule B. In the crystal, the A and B molecules are linked by two pairs of N—H...N hydrogen bonds forming A–B dimers. These are further linked by a fifth N—H...N hydrogen bond, forming tetramer-like units that stack along the a-axis direction, forming columns, which are in turn linked by C—H...π interactions, forming layers parallel to the ac plane.
ISSN:2056-9890