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

The title compounds, C(12)H(12)ClN(5)OS, (I), and C(12)H(12)ClN(5)OS, (II), are 2-[(di­amino­pyrimidin-2-yl)sulfan­yl]acetamides. Compound (II), crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. In each of the mol­ecules, in both (I) and (II), an intra­molecular N—H⋯N hy...

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Detalles Bibliográficos
Autores principales: Subasri, S., Kumar, Timiri Ajay, Sinha, Barij Nayan, Jayaprakash, Venkatesan, Viswanathan, Vijayan, Velmurugan, Devadasan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5382600/
https://www.ncbi.nlm.nih.gov/pubmed/28435699
http://dx.doi.org/10.1107/S2056989017003243
Descripción
Sumario:The title compounds, C(12)H(12)ClN(5)OS, (I), and C(12)H(12)ClN(5)OS, (II), are 2-[(di­amino­pyrimidin-2-yl)sulfan­yl]acetamides. Compound (II), crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. In each of the mol­ecules, in both (I) and (II), an intra­molecular N—H⋯N hydrogen bond forms an S(7) ring motif. The pyrimidine ring is inclined to the benzene ring by 42.25 (14)° in (I), and by 59.70 (16) and 62.18 (15)° in mol­ecules A and B, respectively, of compound (II). In the crystal of (I), mol­ecules are linked by pairs of N—H⋯N hydrogen bonds, forming inversion dimers with an R (2) (2)(8) ring motif. The dimers are linked via bifurcated N—H⋯O and C—H⋯O hydrogen bonds, forming corrugated layers parallel to the ac plane. In the crystal of (II), the A mol­ecules are linked through N—H⋯O and N—H⋯Cl hydrogen bonds, forming layers parallel to (100). The B mol­ecules are also linked by N—H⋯O and N—H⋯Cl hydrogen bonds, also forming layers parallel to (100). The parallel layers of A and B mol­ecules are linked via N—H⋯N hydrogen bonds, forming a three-dimensional structure.