N—H⃛N hydrogen bonding in 4,6-diphenyl-2-pyrimidinylamine isolated from the plant Justicia secunda (Acanthaceae)
The title compound, C16H13N3, isolated from Justicia secunda (Acanthaceae), comprises two molecules (which differ slightly in conformation) in the asymmetric unit of space group P . Intermolecular Namino—H…Npyrm interactions (Npyrm 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…(arene) contacts, with an H…centroid distance of 2.77 Å and a C—H…centroid angle of 141°.
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Document Type: Research Article
Publication date: 2004-04-01