Pseudopolymorphism in brucine: brucine-water (1/2), the third crystal hydrate of brucine
Author(s)
Smith, Graham
Wermuth, Urs D
White, Jonathan M
Griffith University Author(s)
Year published
2007
Metadata
Show full item recordAbstract
The structure of a third pseudopolymorphic hydrate of brucine, brucine-water (1/2) [systematic name: 2,3-dimethoxystrychnidin-10-one-water (1/2)], C23H26N2O4粈2O, 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 R44(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...Nbrucine or asymmetric three-centre ...
View more >The structure of a third pseudopolymorphic hydrate of brucine, brucine-water (1/2) [systematic name: 2,3-dimethoxystrychnidin-10-one-water (1/2)], C23H26N2O4粈2O, 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 R44(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...Nbrucine or asymmetric three-centre O-H...Obrucine hydrogen bonds.
View less >
View more >The structure of a third pseudopolymorphic hydrate of brucine, brucine-water (1/2) [systematic name: 2,3-dimethoxystrychnidin-10-one-water (1/2)], C23H26N2O4粈2O, 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 R44(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...Nbrucine or asymmetric three-centre O-H...Obrucine hydrogen bonds.
View less >
Journal Title
Acta Crystallographica Section C, Crystal Structure Communications
Volume
C63
Issue
8
Subject
Inorganic chemistry
Physical chemistry
Other chemical sciences