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N'-[(1E)-(2,6-二氟苯基)亚甲基]噻吩-2-碳酰肼

N'-[(1E)-(2,6-Difluoro-phen-yl)methyl-idene]thio-phene-2-carbohydrazide.

作者信息

Alanazi Amer M, Kadi Adnan A, El-Emam Ali A, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o315. doi: 10.1107/S160053681105611X. Epub 2012 Jan 11.

Abstract

In the title compound, C(12)H(8)F(2)N(2)OS, the thienyl ring is disordered over two positions, with the S atom of the major component [occupancy = 75.03 (18)%] oriented away from an ortho-F atom of the benzene ring. The mol-ecule is nearly planar, the dihedral angle between the thio-phene and benzene rings being 6.19 (18) (in the major component) or 3.5 (6)° (in the minor component). The azomethine C=N double-bond in the mol-ecule is of an E configuration. In the crystal, mol-ecules are linked by pairs of N-H⋯O hydrogen bonds, generating inversion dimers.

摘要

在标题化合物C₁₂H₈F₂N₂OS中,噻吩环在两个位置上无序,主要组分[S原子占有率 = 75.03 (18)%]的S原子远离苯环上的邻位F原子。分子近乎平面,噻吩环与苯环之间的二面角在主要组分中为6.19 (18)°,在次要组分中为3.5 (6)°。分子中的甲亚胺C=N双键为E构型。在晶体中,分子通过N—H⋯O氢键对相连,形成反演二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/394a/3275005/13ea136671f6/e-68-0o315-fig1.jpg

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