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Crystal structures and Hirshfeld surface analyses of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(pyridin-2-yl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(pyrazin-2-yl)acetamide
In the title compounds, C(11)H(12)N(6)OS (I) and C(10)H(11)N(7)OS (II), the diaminopyrimidine ring makes dihedral angles of 71.10 (9)° with the pyridine ring in (I) and 62.93 (15)° with the pyrazine ring in (II). The ethanamine group, –CH(2)–C(=O)–NH– lies in the plane of the pyridine and pyrazine...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947495/ https://www.ncbi.nlm.nih.gov/pubmed/29850099 http://dx.doi.org/10.1107/S2056989018005704 |
Sumario: | In the title compounds, C(11)H(12)N(6)OS (I) and C(10)H(11)N(7)OS (II), the diaminopyrimidine ring makes dihedral angles of 71.10 (9)° with the pyridine ring in (I) and 62.93 (15)° with the pyrazine ring in (II). The ethanamine group, –CH(2)–C(=O)–NH– lies in the plane of the pyridine and pyrazine rings in compounds (I) and (II), respectively. In both compounds, there is an intramolecular N—H⋯N hydrogen bond forming an S(7) ring motif and a short C—H⋯O interaction forming an S(6) loop. In the crystals of both compounds, molecules are linked by pairs of N—H⋯N hydrogen bonds, forming inversion dimers with R (2) (2)(8) ring motifs. In (I), the dimers are linked by N—H⋯O and N—H⋯N hydrogen bonds, forming layers parallel to (1[Image: see text] [Image: see text]). The layers are linked by offset π–π interactions [intercentroid distance = 3.777 (1) Å], forming a three-dimensional supramolecular structure. In (II), the dimers are linked by N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds, also forming a three-dimensional supramolecular structure. |
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