N-H.N hydrogen bonding in 4,6-diphenyl-2-pyrimidinylamine isolated from the plant Justicia secunda (Acanthaceae)

Acta Crystallogr C. 2004 Apr;60(Pt 4):o229-31. doi: 10.1107/S0108270104002902. Epub 2004 Mar 11.

Abstract

The title compound, C(16)H(13)N(3), isolated from Justicia secunda (Acanthaceae), comprises two molecules (which differ slightly in conformation) in the asymmetric unit of space group P-1. Intermolecular N(amino)-H.N(pyrm) interactions (N(pyrm) is a pyrimidine ring N atom) involve only one of the two donor amino H atoms and pyrimidine N atoms per molecule, forming dimeric units via R(2)(2)(8) rings, with N.N distances of 3.058 (2) and 3.106 (3) A, and N-H.N angles of 172.7 (18) and 175.8 (17) degrees. The dimers are linked by C-H.pi(arene) contacts, with an H.centroid distance of 2.77 A and a C-H.centroid angle of 141 degrees.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Acanthaceae / chemistry*
  • Amines / chemistry*
  • Crystallography, X-Ray
  • Hydrogen Bonding
  • Justicia / chemistry
  • Molecular Conformation
  • Molecular Structure
  • Pyrimidines / chemistry*

Substances

  • Amines
  • Pyrimidines