Synthesis and Crystal Structure of Benzyltrimethylammonium
Dicitratoborate Monohydrate

I. I. Zviedre^a and S. V. Belyakov^b

^a Neorganisks mijas Institts,Rgas Tehnisk Universitte, Miera iel 34, Salaspils-1, Riga, LV-2169 Latvia

^b Latvijas Organisks Sintzes Institts, Latvijas Zintu Akadmija, Aizkraukles iel 21, Riga, LV-1006 Latvia

Received April 27, 2012

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 stud-
ied by X-ray diffraction. Crystals are triclinic with a = 10.0832(2) Å, b = 11.1232(3) Å, c = 11.9617(3) Å, =
84.874(1), = 73.520(1), = 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, MoK). The crystal structure of compound I is
based on centrosymmetric dimers that consist of complex anions and water molecules and linked by the sys-
tem 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.

DOI: 10.1134/S0036023613050252

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