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Crystal Structure and Hirshfeld Surface Analysis of -{-[amino-(di-methyl-amino)-meth-yl]carbamimido-yl}-3-bromo-benzene-sulfonamide

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Abstract

The title compound, CHBrNOS, is the bromo-benzene-sulfonamide derivative of the type 2 diabetes drug metformin. The asymmetric unit contains two mol-ecules with almost identical conformations but a different orientation of the bromo-phenyl moiety. Both mol-ecules exhibit intra-molecular N-H⋯N and N-H⋯O hydrogen bonds. The mol-ecular packing features chain formation in the -axis direction by alternating N-H⋯N and N-H⋯O inter-actions. In addition, ring motifs consisting of four mol-ecules and π-π inter-actions 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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