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

Gallagher, John F. and Goswami, Shyamaprosad and Chatterjee, Baidyanath and Jana, Subrata and Dutta, Kalyani (2004) N—H⋯N hydrogen bonding in 4,6-diphenyl-2-pyrimidinylamine isolated from the plant Justicia secunda (Acanthaceae). Acta Crystallographica Section C, 60 (4). pp. 229-231. ISSN 0108-2701

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Abstract

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\overline 1. 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 R²₂(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°.

Item Type:Article (Published)
Refereed:Yes
Subjects:Physical Sciences > Organic chemistry
Physical Sciences > Chemistry
Physical Sciences > Crystallography
DCU Faculties and Centres:DCU Faculties and Schools > Faculty of Science and Health > School of Chemical Sciences
Publisher:International Union of Crystallography
Official URL:http://dx.doi.org/10.1107/S0108270104002902
Use License:This item is licensed under a Creative Commons Attribution-NonCommercial-Share Alike 3.0 License. View License
ID Code:123
Deposited On:14 Jan 2008 by DORAS Administrator. Last Modified 30 Jan 2009 16:25

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