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(E)-2-[(1-苯基磺酰基-1H-吲哚-3-基)亚甲基]琥珀酸二乙酯的晶体结构

Crystal structure of (E)-diethyl 2-[(1-phenyl-sulfonyl-1H-indol-3-yl)methyl-idene]succinate.

作者信息

Umadevi M, Raju Potharaju, Yamuna R, Mohanakrishnan Arasambattu K, Chakkaravarthi G

机构信息

Research and Development Centre, Bharathiar University, Coimbatore 641 046, India; Department of Chemistry, Pallavan College of Engineering, Kanchipuram 631 502, India.

Department of Organic Chemistry, University of Madras, Guindy Campus, Chennai 600 025, India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Dec 9;71(Pt 12):o1029-30. doi: 10.1107/S2056989015023075. eCollection 2015 Dec 1.

DOI:10.1107/S2056989015023075
PMID:26870481
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4719962/
Abstract

In the title compound, C23H23NO6S, the phenyl ring is perpendicular [dihedral angle = 89.34 (9)°] to the indole ring system. In the mol-ecule, the eth-oxy groups are each disordered over two sets of sites with occupancy ratios of 0.671 (6):0.329 (6) and 0.75 (3):0.25 (3). The mol-ecular conformation is consolidated by a weak C-H⋯O interaction, which generates an S(6) graph-set motif. The packing of the mol-ecules in the crystal structure features weak C-H⋯π inter-actions.

摘要

在标题化合物C₂₃H₂₃NO₆S中,苯环与吲哚环系统垂直[二面角 = 89.34 (9)°]。在分子中,乙氧基各自在两组位置上无序分布,占有率分别为0.671 (6):0.329 (6)和0.75 (3):0.25 (3)。分子构象通过一个弱的C—H⋯O相互作用得以巩固,该相互作用产生一个S(6)图形集 motif。晶体结构中分子的堆积具有弱的C—H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f89c/4719962/a6462aaf9232/e-71-o1029-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f89c/4719962/a6462aaf9232/e-71-o1029-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f89c/4719962/a6462aaf9232/e-71-o1029-fig1.jpg

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