Crystal structures of 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(3-nitro­phen­yl)acetamide monohydrate and N-(2-chloro­phen­yl)-2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]acetamide

Acta Crystallographica Section E: Crystallographic Communications

Subasri, S.¹  Velmurugan, D.¹  Vijayan, V.¹  Timiri, A.K.²  Barji, N.S.²  Jayaprakash, V.² 

[1] Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India;Department of Pharmaceutical Sciences, Birla Institute of Technology, Mesra, Ranchi, India

关键词: CRYSTAL STRUCTURE;    ACETAMIDES;    INTRAMOLECULAR N-H...O AND N-H...CL HYDROGEN BONDS;    NETWORK;    FRAMEWORK;   

DOI  :  10.1107/S2056989016011658

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The title compounds, C12H12N6O3S·H2O, (I), and C12H12ClN5OS, (II), are 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]acetamides. Compound (I) crystallized as a monohydrate. In both compounds, the mol­ecules have a folded conformation, with the pyrimidine ring being inclined to the benzene ring by 56.18 (6)° in (I) and by 67.84 (6)° in (II). In both mol­ecules, there is an intra­molecular N—H⋯N hydrogen bond stabilizing the folded conformation. In (I), there is also a C—H⋯O intra­molecular short contact, and in (II) an intra­molecular N—H⋯Cl hydrogen bond is present. In the crystal of (I), mol­ecules are linked by a series of N—H⋯O, O—H⋯O and O—H⋯N hydrogen bonds, forming undulating sheets parallel to the (100). The sheets are linked via an N—H⋯Owater hydrogen bond, forming a three-dimensional network. In the crystal of (II), mol­ecules are linked by a series of N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds, forming slabs parallel to (001).

【 授权许可】

CC BY