4-[(2,4-二氟苯基)肼叉基]-3-甲基-5-氧代-4,5-二氢-1H-吡唑-1-碳硫酰胺
4-[(2,4-Difluoro-phen-yl)hydrazinyl-idene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothio-amide.
作者信息
Fun Hoong-Kun, Asik Safra Izuani Jama, Razak Ibrahim Abdul, Shetty Shobhitha, Kalluraya Balakrishna
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o3116. doi: 10.1107/S1600536811044576. Epub 2011 Oct 29.
Abstract
In the title compound, C(11)H(9)F(2)N(5)OS, the pyrazole ring forms a dihedral angle of 16.42 (6)° with the benzene ring. Intra-molecular N-H⋯O hydrogen bonds generate two S(6) ring motifs. In the crystal, an R(2) (2)(8) ring motif is formed by a pair of inter-molecular N-H⋯S hydrogen bonds. Inter-molecular C-H⋯F hydrogen bonds further link the mol-ecules into a three-dimensional network.
摘要
在标题化合物C₁₁H₉F₂N₅OS中，吡唑环与苯环形成的二面角为16.42 (6)°。分子内N—H⋯O氢键产生两个S(6)环模式。在晶体中，一对分子间N—H⋯S氢键形成一个R₂²(8)环模式。分子间C—H⋯F氢键进一步将分子连接成三维网络。
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