Supramolecular hydrogen-bonded hexamers in two 5-aryl-3-methyl-1-phenyl-1,6,7,8-tetrahydropyrazolo[3,4-b][1,4]diazepines

Acta Crystallogr C. 2002 Feb;58(Pt 2):o103-5. doi: 10.1107/s0108270101020625. Epub 2002 Jan 23.

Abstract

In both title compounds, i.e. 3-methyl-1,5-diphenyl-1,6,7,8-tetrahydropyrazolo[3,4-b][1,4]diazepine, C(19)H(18)N(4), (I), and 5-(4-chlorophenyl)-3-methyl-1-phenyl-1,6,7,8-tetrahydropyrazolo[3,4-b][1,4]diazepine, C(19)H(17)ClN(4), (II), an N-H...N hydrogen bond links six molecules to form an R(6)(6)(30) ring. Compound (I) crystallizes in the R3 space group and (II) crystallizes in P1 with three molecules in the asymmetric unit. The molecule of (I) contains a disordered seven-membered ring.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Anti-Anxiety Agents / chemistry*
  • Azepines / chemistry*
  • Benzodiazepines
  • Crystallography, X-Ray
  • Hydrogen Bonding
  • Models, Molecular
  • Pyrazoles / chemistry*

Substances

  • 3-methyl-1,5-diphenyl-1,6,7,8-tetrahydropyrazolo(3,4-b)(1,4)diazepine
  • 5-(4-chlorophenyl)-3-methyl-1-phenyl-1,6,7,8-tetrahydropyrazolo(3,4-b)(1,4)diazepine
  • Anti-Anxiety Agents
  • Azepines
  • Pyrazoles
  • Benzodiazepines