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
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ID: 256235
2016
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Abstract
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).
| Reference Key |
subasri2016actacrystal
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|---|---|
| Authors | ;S. Subasri;Ajay Kumar Timiri;Nayan Sinha Barji;Venkatesan Jayaprakash;Viswanathan Vijayan;Devadasan Velmurugan |
| Journal | Disability and rehabilitation |
| Year | 2016 |
| DOI |
10.1107/S2056989016011658
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