Pseudopolymorphism in brucine: brucine-water (1/2), the third crystal hydrate of brucine

Smith, Graham, Wermuth, Urs D., & White, Jonathan M. (2007) Pseudopolymorphism in brucine: brucine-water (1/2), the third crystal hydrate of brucine. Acta Crystallographica. Section C: Crystal Structure Communications, C63(8), o489-o492.

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The structure of the third pseudopolymorphic hydrate of brucine, brucine-water (1/2) [systematic name 2,3-dimethoxystrychnidin-10-one-water (1/2)], C23H26N2O4 . 2H2O, has been determined at 130 K. The asymmetric unit comprises two independent brucine molecules and four water molecules of solvation. The four water molecules form uncommon cyclic hydrogen-bonded homomolecular R2/2(8) tetramer rings, which then form primary hydrogen-bonded chain substructures, extending down the 21 screw axis in the unit cell. The two brucine molecules are linked peripherally to these substructures by either single O-H...O(brucine) or O-H...N(brucine) hydrogen bonds.

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ID Code: 8792
Item Type: Journal Article
Refereed: Yes
Keywords: crystal structure, brucine, pseudopolymorphism
DOI: 10.1107/S0108270107032295
ISSN: 0108-2701
Subjects: Australian and New Zealand Standard Research Classification > CHEMICAL SCIENCE (030000) > PHYSICAL CHEMISTRY (INCL. STRUCTURAL) (030600) > Structural Chemistry and Spectroscopy (030606)
Divisions: Past > QUT Faculties & Divisions > Faculty of Science and Technology
Copyright Owner: Copyright 2007 International Union of Crystallography
Copyright Statement: Reproduced in accordance with the copyright policy of the publisher.
Deposited On: 26 Jul 2007 00:00
Last Modified: 29 Feb 2012 13:39

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