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Crystal structure and Hirshfeld surface analysis of N-{N-[amino(dimethylamino)methyl]carbamimidoyl}-3-bromobenzenesulfonamide
The title compound, C(10)H(14)BrN(5)O(2)S, is the bromobenzenesulfonamide derivative of the type 2 diabetes drug metformin. The asymmetric unit contains two molecules with almost identical conformations but a different orientation of the bromophenyl moiety. Both molecules exhibit intramolecula...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10088321/ https://www.ncbi.nlm.nih.gov/pubmed/37057028 http://dx.doi.org/10.1107/S2056989023002165 |
Sumario: | The title compound, C(10)H(14)BrN(5)O(2)S, is the bromobenzenesulfonamide derivative of the type 2 diabetes drug metformin. The asymmetric unit contains two molecules with almost identical conformations but a different orientation of the bromophenyl moiety. Both molecules exhibit intramolecular N—H⋯N and N—H⋯O hydrogen bonds. The molecular packing features chain formation in the a-axis direction by alternating N—H⋯N and N—H⋯O interactions. In addition, ring motifs consisting of four molecules and π–π interactions between the phenyl rings contribute to the three-dimensional architecture. A Hirshfeld surface analysis shows that the largest contributions to surface contacts arise from contacts in which H atoms are involved. |
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