Acta Crystallographica Section C

Crystal Structure Communications

Volume 62, Part 8 (August 2006)


organic compounds



gg3018 scheme

Acta Cryst. (2006). C62, o450-o453    [ doi:10.1107/S0108270106021068 ]

Brucinium 3,5-dinitrobenzoate methanol solvate, methanol disolvate and trihydrate

A. Bialonska and Z. Ciunik

Abstract: Crystals of brucinium 3,5-dinitrobenzoate methanol solvate, C23H27N2O4+·C7H3N2O6-·CH3OH, (I), brucinium 3,5-dinitrobenzoate methanol disolvate, C23H27N2O4+·C7H3N2O6-·2CH3OH, (II), and brucinium 3,5-dinitrobenzoate trihydrate, C23H27N2O4+·C7H3N2O6-·3H2O, (III), were obtained from methanol [for (I) and (II)] or ethanol solutions [for (III)]. The brucinium cations and 3,5-dinitrobenzoate anions are linked by ionic N-H+...O- hydrogen bonds. In the crystals of (I), (II) and (III), the brucinium cations exhibit different modes of packing, viz. corrugated ribbons, pillars and corrugated monolayer sheets, respectively. While in (III), the amide O atom of the brucinium cation participates in O-H...O hydrogen bonds, in which water molecules are the donors, in (I) and (II), the amide O atom of the brucinium cation is involved in weak C-H...O hydrogen bonds and other brucinium cations are the donors.

Formula: C23H27N2O4+·C7H3N2O6-·CH4O, C23H27N2O4+·C7H3N2O6-·2CH4O and C23H27N2O4+·C7H3N2O6-·3H2O


hkldisplay filedownload file

Structure factor file (CIF format) (170.2 kbytes)
[ doi:10.1107/S0108270106021068/gg3018Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (181.8 kbytes)
[ doi:10.1107/S0108270106021068/gg3018IIsup3.hkl ]
Contains datablock bdnbzac2


hkldisplay filedownload file

Structure factor file (CIF format) (181.4 kbytes)
[ doi:10.1107/S0108270106021068/gg3018IIIsup4.hkl ]
Contains datablock bdnbzac3


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