| Autor: |
Subasri S; Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India., Timiri AK; Department of Pharmaceutical Sciences, Birla Institute of Technology, Mesra, Ranchi, India., Barji NS; Department of Pharmaceutical Sciences, Birla Institute of Technology, Mesra, Ranchi, India., Jayaprakash V; Department of Pharmaceutical Sciences, Birla Institute of Technology, Mesra, Ranchi, India., Vijayan V; Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India., Velmurugan D; Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India. |
| Jazyk: |
angličtina |
| Zdroj: |
Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2016 Jul 22; Vol. 72 (Pt 8), pp. 1171-5. Date of Electronic Publication: 2016 Jul 22 (Print Publication: 2016). |
| DOI: |
10.1107/S2056989016011658 |
| Abstrakt: |
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). |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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