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3-[(E,E)-3-苯基-丙-2-烯基亚甲基]二硫代氨基甲酸苄酯

Benzyl 3-[(E,E)-3-phenyl-prop-2-enyl-idene]dithio-carbazate.

作者信息

Tarafder M T H, Crouse K A, Islam M Toihidul, Chantrapromma Suchada, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 May 10;64(Pt 6):o1042-3. doi: 10.1107/S1600536808013354.

DOI:10.1107/S1600536808013354
PMID:21202563
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2961473/
Abstract

The title compound, C(17)H(16)N(2)S(2), a dithio-carbazate derivative, adopts an EE configuration with respect to the C=C and C=N double bonds of the propenyl-idine group. The 3-phenyl-prop-2-enyl-idene and dithio-carbazate fragments lie essentially in the same plane, with a maximum deviation from that plane of 0.074 (2) Å, while the dihedral angle between the 3-phenyl-prop-2-enyl-idene and the benzyl group is 77.78 (7)°. In the crystal structure, mol-ecules are linked by an N-H⋯S hydrogen bond and a weak C-H⋯S inter-action involving the terminal thione S atom, forming dimers that are arranged into sheets parallel to the bc plane. The crystal structure is also stabilized by C-H⋯π inter-actions.

摘要

标题化合物C(17)H(16)N(2)S(2),一种二硫代卡巴腙衍生物,相对于亚丙烯基的C=C和C=N双键采用EE构型。3-苯基-2-丙烯基亚甲基和二硫代卡巴腙片段基本位于同一平面内,与该平面的最大偏差为0.074 (2) Å,而3-苯基-2-丙烯基亚甲基与苄基之间的二面角为77.78 (7)°。在晶体结构中,分子通过N-H⋯S氢键和涉及末端硫酮S原子的弱C-H⋯S相互作用相连,形成二聚体,这些二聚体排列成平行于bc平面的片层。晶体结构还通过C-H⋯π相互作用得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/92a3/2961473/33b748e25547/e-64-o1042-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/92a3/2961473/88d1c7d2f5f0/e-64-o1042-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/92a3/2961473/33b748e25547/e-64-o1042-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/92a3/2961473/88d1c7d2f5f0/e-64-o1042-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/92a3/2961473/33b748e25547/e-64-o1042-fig2.jpg

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