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6-(1H-Tetra-zol-5-yl)-1H-indole monohydrate.

作者信息

Ge Yu-Hua, Han Pei, Wei Ping, Ou-Yang Ping-Kai

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 23;67(Pt 3):o692. doi: 10.1107/S1600536811003990.

DOI:10.1107/S1600536811003990
PMID:21522437
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3052125/
Abstract

In the title compound, C(9)H(7)N(5)·H(2)O, the tetra-zole ring forms a dihedral angle of 1.82 (1)° with the mean plane of the indole fragment. In the crystal, mol-ecules are linked by inter-molecular O-H⋯N, N-H⋯O and N-H⋯N hydrogen bonds into a two-dimensional network parallel to (100). Addtional stabilization is provide by weak π-π inter-actions with a centroid-centroid distance of 3.698 (2) Å.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2e33/3052125/b9420fd755ba/e-67-0o692-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2e33/3052125/ca498061c68d/e-67-0o692-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2e33/3052125/b9420fd755ba/e-67-0o692-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2e33/3052125/ca498061c68d/e-67-0o692-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2e33/3052125/b9420fd755ba/e-67-0o692-fig2.jpg

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本文引用的文献

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A short history of SHELX.SHELX简史。
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Non-glutamate type pyrrolo[2,3-d]pyrimidine antifolates. I: Synthesis and biological properties of pyrrolo[2,3-d]pyrimidine antifolates containing tetrazole congener of glutamic acid.
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