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3-(2-氨基-1-甲基-4-氧代-4,5-二氢-1H-咪唑-5-基)-3-羟基吲哚-2-酮一水合物

3-(2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-5-yl)-3-hydroxy-indolin-2-one monohydrate.

作者信息

Penthala Narsimha Reddy, Reddy Thirupathi Reddy Yerram, Parkin Sean, Crooks Peter A

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 21;65(Pt 3):o552. doi: 10.1107/S1600536809004875.

DOI:10.1107/S1600536809004875
PMID:21582211
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968573/
Abstract

Two chiral centres exist in the title compound, C(12)H(12)N(4)O(3)·H(2)O. Mol-ecules are linked into chains by series of inter-molecular N-H⋯O and O-H⋯N hydrogen bonds, which causes supra-molecular aggregation. Two chiral centres are formed in the title compound. The indole and creatinine moieties make a dihedral angle of 56.75 (4)°. The crystal structure of the compound indicates the presence of equimolar enantio-mers (RR and SS) in the crystal structure.

摘要

标题化合物C(12)H(12)N(4)O(3)·H(2)O中存在两个手性中心。分子通过一系列分子间N-H⋯O和O-H⋯N氢键连接成链，这导致了超分子聚集。标题化合物中形成了两个手性中心。吲哚和肌酐部分形成的二面角为56.75 (4)°。该化合物的晶体结构表明晶体结构中存在等摩尔的对映体（RR和SS）。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a732/2968573/70bf0affd5c7/e-65-0o552-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a732/2968573/70bf0affd5c7/e-65-0o552-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a732/2968573/70bf0affd5c7/e-65-0o552-fig1.jpg

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