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(E)-2-(2,3-二甲基苯胺基)-N'-(噻吩-2-基亚甲基)苯甲酰肼

(E)-2-(2,3-Dimethyl-anilino)-N'-(thio-phen-2-yl-methyl-idene)benzohydrazide.

作者信息

Fun Hoong-Kun, Chia Tze Shyang, Bhat Mashooq A, Al-Omar Mohamed A, Abdel-Aziz Hatem A

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2524-5. doi: 10.1107/S160053681203259X. Epub 2012 Jul 25.

DOI:10.1107/S160053681203259X
PMID:22904960
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3414973/
Abstract

In the title compound, C(20)H(19)N(3)OS, the central benzene ring makes dihedral angles of 45.36 (9) and 55.33 (9)° with the thio-phene ring and the dimethyl-substituted benzene ring, respectively. The dihedral angle between the thio-phene ring and dimethyl-substituted benzene ring is 83.60 (9)°. The thio-phene ring and the benzene ring are twisted from the mean plane of the C(=O)-N-N=C bridge [maximum deviation = 0.0860 (13) Å], with dihedral angles of 23.86 (9) and 24.77 (8)°, respectively. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring. In the crystal, mol-ecules are linked by N-H⋯O and C-H⋯O hydrogen bonds to the same acceptor atom, forming sheets lying parallel to the bc plane. The crystal packing also features C-H⋯π inter-actions.

摘要

在标题化合物C₂₀H₁₉N₃OS中,中心苯环与噻吩环和二甲基取代苯环的二面角分别为45.36(9)°和55.33(9)°。噻吩环与二甲基取代苯环之间的二面角为83.60(9)°。噻吩环和苯环相对于C(=O)-N-N=C桥的平均平面发生扭曲[最大偏差 = 0.0860(13)Å],二面角分别为23.86(9)°和24.77(8)°。分子内N-H⋯O氢键形成一个S(6)环。在晶体中,分子通过N-H⋯O和C-H⋯O氢键与同一个受体原子相连,形成平行于bc平面的片层。晶体堆积还具有C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e8b1/3414973/d47faa26704a/e-68-o2524-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e8b1/3414973/6e785fe6a07f/e-68-o2524-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e8b1/3414973/d47faa26704a/e-68-o2524-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e8b1/3414973/6e785fe6a07f/e-68-o2524-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e8b1/3414973/d47faa26704a/e-68-o2524-fig2.jpg

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