title: N-H.N hydrogen bonding in 4,6-diphenyl-2-pyrimidinylamine isolated from the plant Justicia secunda (Acanthaceae).
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.
authors.affiliation: School of Chemical Sciences, Dublin City University, Dublin 9, Ireland. john.gallagher@dcu.ie
authors.forename: John F
authors.initials: JF
authors.lastname: Gallagher
authors.forename: Shyamaprosad
authors.initials: S
authors.lastname: Goswami
authors.forename: Baidyanath
authors.initials: B
authors.lastname: Chatterjee
authors.forename: Subrata
authors.initials: S
authors.lastname: Jana
authors.forename: Kalyani
authors.initials: K
authors.lastname: Dutta
mesh_terms: D027901:Acanthaceae / Q000737:chemistry*; D000588:Amines / Q000737:chemistry*; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D027902:Justicia / Q000737:chemistry; D008968:Molecular Conformation; D015394:Molecular Structure; D011743:Pyrimidines / Q000737:chemistry*
chemical_list: D000588:Amines; D011743:Pyrimidines