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(2E)-2-[(3-Methyl-5-phen-oxy-1-phenyl-1H-pyrazol-4-yl)methyl-idene]hydrazinecarbothio-amide.

作者信息

Fun Hoong-Kun, Quah Ching Kheng, Shetty Shobhitha, Kalluraya Balakrishna

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2146-7. doi: 10.1107/S1600536812026931. Epub 2012 Jun 20.

Abstract

In the title compound, C(18)H(17)N(5)OS, the mean plane of the pyrazole ring [maximum deviation = 0.0031 (12) Å] forms dihedral angles of 19.6 (4) and 9.3 (5)° with the two disorder components of the N-bound benzene ring (with equal occupancies for the two orientations) and a dihedral angle of 72.58 (8)° with the C-O-bonded benzene ring. The mol-ecule exists in a trans conformation with respect to the N=C bond [1.2792 (19) Å]. The mol-ecular structure features an intra-molecular C-H⋯O hydrogen bond, forming an S(6) ring. In the crystal, N-H⋯N and N-H⋯S hydrogen bonds result in the formation of zigzag layers lying parallel to (10-1).

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ee47/3393955/408e47b3f3b1/e-68-o2146-fig1.jpg

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