Login / Signup

Crystal structure and Hirshfeld surface analysis of N -{ N -[amino-(di-methyl-amino)-meth-yl]carbamimido-yl}-3-bromo-benzene-sulfonamide.

Kexin SuJiangshui LuoLuc Van Meervelt
Published in: Acta crystallographica. Section E, Crystallographic communications (2023)
The title compound, C 10 H 14 BrN 5 O 2 S, 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 a -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.
Keyphrases
  • crystal structure
  • type diabetes
  • cardiovascular disease
  • emergency department
  • adipose tissue
  • metabolic syndrome
  • glycemic control
  • drug induced
  • cystic fibrosis
  • weight loss
  • staphylococcus aureus