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吲唑啉

Indizoline.

作者信息

Fun Hoong-Kun, Maneerat Wisanu, Laphookhieo Surat, Chantrapromma Suchada

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Sep 19;65(Pt 10):o2497-8. doi: 10.1107/S1600536809036915.

DOI:10.1107/S1600536809036915
PMID:21577947
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2970378/
Abstract

THE TITLE COMPOUND [SYSTEMATIC NAME: 1-meth-oxy-2-(3-methyl-but-2-en-yl)-9H-carbazole-3-carbaldehyde], C(19)H(19)NO(2), is a natural carbazole which was isolated from the twigs of Clausena lansium. The carbazole ring system is essentially planar with a mean deviation of 0.0068 (10) Å. The aldehyde substituent is approximately co-planar with the attached benzene ring with a torsion angle of -8.58 (14)°, whereas the meth-oxy group is rotated out of the benzene plane with a torsion angle of -82.17 (11)°. The dihedral angle between the mean planes of the 3-methyl-2-butenyl group and the carbazole ring is 88.06 (5)°. An inter-molecular N-H⋯O inter-action connects the mol-ecules into a chain along the a axis. The crystal is further consolidated by a C-H⋯O hydrogen bond and two π-π inter-actions with centroid-centroid distances of 3.6592 (6) and 3.7440 (6) Å.

摘要

标题化合物[系统命名:1-甲氧基-2-(3-甲基丁-2-烯基)-9H-咔唑-3-甲醛],C(19)H(19)NO(2),是一种从黄皮树枝条中分离得到的天然咔唑。咔唑环系基本呈平面状,平均偏差为0.0068 (10) Å。醛基取代基与相连的苯环近似共平面,扭转角为-8.58 (14)°,而甲氧基则以-82.17 (11)°的扭转角旋转出苯平面。3-甲基-2-丁烯基平均平面与咔唑环平均平面之间的二面角为88.06 (5)°。分子间的N-H⋯O相互作用将分子沿a轴连接成链。晶体通过C-H⋯O氢键和两个π-π相互作用进一步巩固,质心-质心距离分别为3.6592 (6)和3.7440 (6) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7236/2970378/2f6cde6038cb/e-65-o2497-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7236/2970378/51b9a20abfca/e-65-o2497-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7236/2970378/2f6cde6038cb/e-65-o2497-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7236/2970378/51b9a20abfca/e-65-o2497-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7236/2970378/2f6cde6038cb/e-65-o2497-fig2.jpg

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