Crystal structures of 2-[(4,6-di-amino-pyrimidin-2-yl)sulfan-yl]-N-(3-nitro-phen-yl)acetamide monohydrate and N-(2-chloro-phen-yl)-2-[(4,6-di-amino-pyrimidin-2-yl)sulfan-yl]acetamide.

ABSTRACT: The title compounds, C12H12N6O3S·H2O, (I), and C12H12ClN5OS, (II), are 2-[(4,6-di-amino-pyrimidin-2-yl)sulfan-yl]acetamides. Compound (I) crystallized as a monohydrate. In both compounds, the mol-ecules 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 mol-ecules, there is an intra-molecular N-H?N hydrogen bond stabilizing the folded conformation. In (I), there is also a C-H?O intra-molecular short contact, and in (II) an intra-molecular N-H?Cl hydrogen bond is present. In the crystal of (I), mol-ecules 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), mol-ecules are linked by a series of N-H?O, N-H?N and C-H?O hydrogen bonds, forming slabs parallel to (001).

SUBMITTER: Subasri S 

PROVIDER: S-EPMC4971865 | biostudies-other | 2016 Aug

REPOSITORIES: biostudies-other