Open AccessN—H⃛N hydrogen bonding in 4,6‐diphenyl‐2‐pyrimidinylamine isolated from the plant Justicia secunda (Acanthaceae)
Author(s) -
Gallagher John F.,
Goswami Shyamaprosad,
Chatterjee Baidyanath,
Jana Subrata,
Dutta Kalyani
Publication year - 2004
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
eISSN - 1600-5759
pISSN - 0108-2701
DOI - 10.1107/s0108270104002902
Subject(s) - acanthaceae , crystallography , ring (chemistry) , molecule , hydrogen bond , intermolecular force , chemistry , stereochemistry , pyrimidine , biology , botany , organic chemistry
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 . 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 (8) rings, with N⋯N distances of 3.058 (2) and 3.106 (3) Å, and N—H⋯N angles of 172.7 (18) and 175.8 (17)°. The dimers are linked by C—H⋯π(arene) contacts, with an H⋯centroid distance of 2.77 Å and a C—H⋯centroid angle of 141°.