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3-（1-甲基-吡咯烷-2-亚基）-3H-吲哚倍半水合物

3-(1-Methyl-pyrrolidin-2-yl-idene)-3H-indole sesquihydrate.

作者信息

Helliwell Madeleine, Aghazadeh Masomeh, Baradarani Mehdi M, Joule John A

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 18;65(Pt 12):o3114. doi: 10.1107/S1600536809047606.

DOI:10.1107/S1600536809047606
PMID:21578840
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2971882/
Abstract

The asymmetric unit of the title compound, C(13)H(14)N(2)·1.5H(2)O, contains two similar mol-ecules of 3-(1-methyl-pyrrolidin-2-yl-idene)-3H-indole, (I), and three water mol-ecules. (I) is the product of reacting indole with 1-methyl-pyrrolidin-2-one in the presence of phospho-rus oxychloride. Both organic molecules are almost completely planar; the maximum distances above and below the least-squares plane through all the atoms of mol-ecule 1 are 0.050 (8) and -0.045 (8) Å, respectively, and the deviations for mol-ecule 2 are 0.096 (8) and -0.059 (8) Å, respectively. In the crystal, the two crystallographically different mol-ecules alternate in π-stacked columns [centroid-centroid distances = 3.729 (5) and 3.858 (5) Å], which are linked by O-H⋯N hydrogen bonds to a network of hydrogen-bonded water mol-ecules. O-H⋯O inter-actions are also present.

摘要

标题化合物C(13)H(14)N(2)·1.5H(2)O的不对称单元包含两个相似的3-(1-甲基-吡咯烷-2-亚基)-3H-吲哚分子（I）和三个水分子。（I）是吲哚与1-甲基-吡咯烷-2-酮在三氯氧磷存在下反应的产物。两个有机分子几乎完全平面；通过分子1所有原子的最小二乘平面上方和下方的最大距离分别为0.050（8）和-0.045（8）Å，分子2的偏差分别为0.096（8）和-0.059（8）Å。在晶体中，两个晶体学上不同的分子在π堆积柱中交替排列[质心-质心距离 = 3.729（5）和3.858（5）Å]，它们通过O-H⋯N氢键与氢键连接的水分子网络相连。还存在O-H⋯O相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e378/2971882/d2faee30f398/e-65-o3114-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e378/2971882/74b3a7f1c5a3/e-65-o3114-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e378/2971882/adaaae2c8c75/e-65-o3114-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e378/2971882/d2faee30f398/e-65-o3114-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e378/2971882/74b3a7f1c5a3/e-65-o3114-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e378/2971882/adaaae2c8c75/e-65-o3114-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e378/2971882/d2faee30f398/e-65-o3114-fig3.jpg

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本文引用的文献

1
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
2
SYNTHESIS AND PHARMACOLOGICAL ACTIVITY OF 3-(2-PYRROLIDINYL)INDOLES.3-(2-吡咯烷基)吲哚的合成与药理活性
J Med Chem. 1964 Jul;7:415-27. doi: 10.1021/jm00334a006.