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2-（苯并[ ]噻唑-2-基）-3,3-双（乙硫基）丙烯腈的晶体结构

Crystal structure of 2-(benzo[]thia-zol-2-yl)-3,3-bis-(ethyl-sulfan-yl)acrylo-nitrile.

作者信息

Azzam Rasha A, Elgemeie Galal H, Elsayed Rasha E, Gad Nagwa M, Jones Peter G

机构信息

Chemistry Department, Faculty of Science, Helwan University, Cairo, Egypt.

Institut für Anorganische und Analytische Chemie, Technische Universität Braunschweig, Hagenring 30, D-38106 Braunschweig, Germany.

出版信息

Acta Crystallogr E Crystallogr Commun. 2022 Mar 10;78(Pt 4):369-372. doi: 10.1107/S2056989022002572. eCollection 2022 Apr 1.

DOI:10.1107/S2056989022002572
PMID:35492278
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8983987/
Abstract

In the title compound, CHNS, the double-bond system of the acrylo-nitrile moiety is significantly non-planar, with absolute torsion angles of 13.9 (2) and 15.1 (2)°. The ring system and the double bond system subtend an inter-planar angle of 11.16 (4)°. The wide angle C-C(CN)=C of 129.40 (12)° may be associated with a balance between planarity and avoidance of a very short S⋯S contact.

摘要

在标题化合物CHNS中，丙烯腈部分的双键体系明显非平面，绝对扭转角为13.9 (2)°和15.1 (2)°。环体系和双键体系的平面夹角为11.16 (4)°。129.40 (12)°的广角C-C(CN)=C可能与平面性和避免非常短的S⋯S接触之间的平衡有关。

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