Synthesis and crystal structure of benzyltrimethylammonium dicitratoborate monohydrate |
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Authors: | I I Zviedre S V Belyakov |
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Institution: | 1230. Neorganiskās ?īmijas Institūts, Rīgas Tehniskā Universitāte, Miera ielā 34, Salaspils-1, Riga, LV-2169, Latvia 2230. Latvijas Organiskās Sintēzes Institūts, Latvijas Zināt? u Akadēmija, Aizkraukles ielā 21, Riga, LV-1006, Latvia
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Abstract: | Benzyltrimethylammonium dicitratoborate C6H5CH2N(CH3)3](C6H6O7)2B] · H2O (I) has been synthesized and separated out in the form of single crystals for the first time. Its crystal structure has been studied by X-ray diffraction. Crystals are triclinic with a = 10.0832(2) Å, b = 11.1232(3) Å, c = 11.9617(3) Å, α = 84.874(1)°, β = 73.520(1)°, γ = 85.550(1)°, Z = 2, space group P-1. The structure has been solved by direct methods and refined by the full-matrix least-squares technique in the anisotropic approximation up to R = 0.0485 (Bruker-Nonius KappaCCD automatic diffractometer, λMoK α). The crystal structure of compound I is based on centrosymmetric dimers that consist of complex anions and water molecules and linked by the system of hydrogen bonds into a three-dimensional framework. The crystals of compound I contains five asymmetric O-H...O hydrogen bonds. A specific feature of the structure is the formation of -COO...H...H2O hydrogen bonds, in which the carboxyl proton is considerably shifted towards the water molecule. |
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