N-H.N hydrogen bonding in 4,6-diphenyl-2-pyrimidinylamine isolated from the plant Justicia secunda (Acanthaceae).
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.
Gallagher
John F
JF
School of Chemical Sciences, Dublin City University, Dublin 9, Ireland. john.gallagher@dcu.ie
Goswami
Shyamaprosad
S
Chatterjee
Baidyanath
B
Jana
Subrata
S
Dutta
Kalyani
K
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*
D000588:Amines; D011743:Pyrimidines