Hydrogen bonding in brucinium dihydrogen citrate trihydrate at 130 K

• Published in: Acta crystallographica. Section C, Crystal structure communications Vol. 61; no. 11; pp. o621 - o624
• Main Authors: Smith, Graham, Wermuth, Urs D., White, Jonathan M.
• Format: Journal Article
• Language: English
• Published: 5 Abbey Square, Chester, Cheshire CH1 2HU, England Munksgaard International Publishers 01.11.2005; Blackwell; Wiley Subscription Services, Inc
• Subjects: Condensed matter: structure, mechanical and thermal properties; Crystalline state (including molecular motions in solids); Crystallography; Exact sciences and technology; Hydrogen bonds; Molecules; Physics; Polymers; Structure of solids and liquids; crystallography; Structure of specific crystalline solids; Theory of crystal structure, crystal symmetry; calculations and modeling; Water; Unit cell; Substructure; Polymers; Hydrogen; Crystal symmetry; Crystal structure
• ISSN: 0108-2701; 1600-5759
• DOI: 10.1107/S0108270105028222

The structure of brucinium dihydrogen citrate trihydrate (systematic name: 2,3‐dimeth­oxy‐10‐oxostrychnidinium dihydrogen citrate trihydrate), C23H27N2O4+·C6H7O7−·3H2O, has been determined at 130 K. The crystallographic asymmetric unit comprises two brucinium cations, two dihydrogen citrate anions and six water mol­ecules of solvation. The two citrate anions, which are conformationally dissimilar, associate through extensive hydrogen‐bonding inter­actions with the common undulating brucinium cation layer substructures and the water mol­ecules, forming a three‐dimensional framework polymer.