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 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.
Document Type: Research Article
Affiliations: 1: V. N. Karazin Kharkiv National University, 4 Svobody Sq, Kharkiv 61077, Ukraine 2: Oles Honchar Dnipropetrovsk National University, 72 Gagarina St, Dnipropetrovsk 49010, Ukraine 3: SSI "Institute for Single Crystals", National Academy of Sciences of Ukraine, 60 Nauky Ave., Kharkiv 61001, Ukraine
Publication date: 01 January 2017
- Access Key
- Free content
- Partial Free content
- New content
- Open access content
- Partial Open access content
- Subscribed content
- Partial Subscribed content
- Free trial content