Crystal structure of 5-chloro- N 1 -(5-phenyl-1 H -pyrazol-3-yl)benzene-1,2-di-amine

The title compound, C H ClN , crystallizes with two independent mol-ecules ( and ) 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 mol-ecule ,...

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Veröffentlicht in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2017-06, Vol.73 (Pt 6), p.876-879
Hauptverfasser: Yartsev, Yegor, Palchikov, Vitaliy, Gaponov, Alexandr, Shishkina, Svitlana
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Sprache:eng
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Zusammenfassung:The title compound, C H ClN , crystallizes with two independent mol-ecules ( and ) 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 mol-ecule , and by 40.02 (10) and 14.18 (10)° in mol-ecule . The aromatic rings are inclined to one another by 58.77 (9)° in mol-ecule , and 36.95 (8)° in mol-ecule . In the crystal, the and mol-ecules are linked by two pairs of N-H⋯N hydrogen bonds forming - dimers. These are further linked by a fifth N-H⋯N hydrogen bond, forming tetra-mer-like units that stack along the -axis direction, forming columns, which are in turn linked by C-H⋯π inter-actions, forming layers parallel to the plane.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989017007381