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2-氰基-2-(1,3-二噻烷-2-亚基)乙酸乙酯的晶体结构

Crystal structure of ethyl 2-cyano-2-(1,3-di-thian-2-yl-idene)acetate.

作者信息

Boukhedena Wafia, Fiala Abdelali, Brahim Ladouani Hayet, Lemallem Salah Eddine, Hamdouni Noudjoud, Boudjada Ali

机构信息

Unité de Recherche de Chimie de l'Environnement et Moléculaire Σtructurale CHEMS, Université des Frères Mentouri Constantine, Constantine, Algeria.

Laboratoire de Cristallographie, Département de Physique, Université Mentouri-Constantine, 25000 Constantine, Algeria.

出版信息

Acta Crystallogr E Crystallogr Commun. 2018 Jan 1;74(Pt 1):65-68. doi: 10.1107/S2056989017017893.

DOI:10.1107/S2056989017017893
PMID:29416894
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5778488/
Abstract

The title compound, CHNOS, contains a 1,3-di-thiane ring which has a twist-boat conformation. The dihedral angle between the mean planes of the ethyl acetate group and the di-thiane ring is 17.56 (13)°. In the crystal, mol-ecules stack in layers up the -axis direction, however, there are no significant inter-molecular inter-actions present.

摘要

标题化合物CHNOS包含一个具有扭船构象的1,3-二噻烷环。乙酸乙酯基团的平均平面与二噻烷环之间的二面角为17.56 (13)°。在晶体中，分子沿c轴方向堆积成层，然而，不存在明显的分子间相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/20ca/5778488/b5bac8d3fdef/e-74-00065-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/20ca/5778488/6dc0f0706f04/e-74-00065-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/20ca/5778488/1dfcd92c1f4d/e-74-00065-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/20ca/5778488/b5bac8d3fdef/e-74-00065-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/20ca/5778488/6dc0f0706f04/e-74-00065-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/20ca/5778488/1dfcd92c1f4d/e-74-00065-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/20ca/5778488/b5bac8d3fdef/e-74-00065-fig3.jpg

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