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5-氨基-1-(2',3'-异亚丙基-D-核醇基)-1-咪唑-4-甲酰胺:一种α = 4的晶体结构

5-Amino-1-(2',3'--iso-propyl-idene-d-ribit-yl)-1-imidazole-4-carboxamide: a crystal structure with ' = 4.

作者信息

Piccialli Vincenzo, Borbone Nicola, Oliviero Giorgia, Piccialli Gennaro, D'Errico Stefano, Centore Roberto

机构信息

Dipartimento di Scienze Chimiche, Università degli Studi di Napoli 'Federico II', Complesso di Monte S. Angelo, Via Cinthia, 80126 Napoli, Italy.

Dipartimento di Farmacia, Università degli Studi di Napoli 'Federico II', Via D. Montesano 49, 80131 Napoli, Italy.

出版信息

Acta Crystallogr E Crystallogr Commun. 2017 Jan 13;73(Pt 2):183-187. doi: 10.1107/S2056989017000500. eCollection 2017 Feb 1.

Abstract

The title compound, CHNO, crystallizes in the monoclinic space group 2, with four crystallographically independent mol-ecules in the asymmetric unit. The four mol-ecules have a very similar conformation that is basically determined by the formation of two intra-molecular hydrogen bonds between the amino NH donors and the carbonyl and ring O-atom acceptors, forming, respectively, (6) and (7) ring motifs.. In the crystal, inter-molecular hydrogen bonding leads to the formation of (10) ring patterns, involving one amide CONH donor and an imidazole N-atom acceptor. The cluster of the four independent mol-ecules has approximate non-crystallographic point symmetry. The structural analysis also shows that during the synthesis of the title compound, the reductive cleavage of the d-ribose ring of the inosine precursor proceeds stereoselectively, with retention of configuration.

摘要

标题化合物CHNO以单斜空间群2结晶,不对称单元中有四个晶体学独立分子。这四个分子具有非常相似的构象,其基本由氨基NH供体与羰基和环O原子受体之间形成的两个分子内氢键决定,分别形成(6)和(7)环模式。在晶体中,分子间氢键导致形成(10)环模式,涉及一个酰胺CONH供体和一个咪唑N原子受体。四个独立分子的簇具有近似非晶体学点对称性。结构分析还表明,在标题化合物的合成过程中,肌苷前体的d -核糖环的还原裂解是立体选择性进行的,构型得以保留。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/322f/5290561/2fc154c8b29d/e-73-00183-fig1.jpg

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