Document Type
Article
Publication Date
6-13-2011
Abstract
The title compound (trivial name: angustoline monohydrate), C20H17N3O2 H2O, features a fused-ring system formed by one five- and four six-membered rings. The nearly planar benzimidazole portion (r.m.s. deviation = 0.008 A˚) and the nearly planar 2,7-naphthyridin-1-one portion (r.m.s. deviation = 0.022 A˚) of the fused-ring system are slightly twisted, with a dihedral angle of 9.47 (8), owing to the tetrahedral nature of the two methylene linkages in the central six-membered ring. The secondary N atom acts as a hydrogen-bond donor to the water molecule of crystallization. In the crystal, the amino and hydroxy groups, and the water molecule are engaged in hydrogen bonding, generating a three-dimensional network.
Keywords
Single-crystal X-ray Study, T = 100 K, Mean �(C–C) = 0.003 A˚, R Factor = 0.036, wR factor = 0.098, Data-to-parameter Ratio = 13.0.
Divisions
CHEMISTRY
Publication Title
Acta Crystallographica Section E: Structure Reports Online
Volume
67
Issue
7
Additional Information
Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia, and Department of Pharmacology, Faculty of Medicine, University of Malaya, 50603 Kuala Lumpur, Malaysia Correspondence e-mail: seikweng@um.edu.my