1,1′-Methylenebis[3-(2,6-diisopropylphenyl)-3,4,5,6-tetrahydropyrimidin-1-ium] dibromide ethanol monosolvate monohydrate
نویسندگان
چکیده
In the title methyl-ene-bridged di(tetra-hydro-pyrimidinium) salt, C33H50N4 (2+)·2Br(-)·C2H5OH·H2O, the two tetra-hydro-pyrimidinium rings have envelope conformations with the central CH2 C atom as the flap. Their mean planes are inclined to one another by 73.31 (13)° and the attached benzene rings are inclined to one another by 67.39 (15)°. The methylene-C-N bond lengths in the tetra-hydro-pyrimidinium rings are 1.314 (3) and 1.304 (3) Å, values typical for C=N double bonds. The distances between the methyl-ene-bridge C atom and the linked tetra-hydro-pyrimidinium N atom are 1.457 (3) and 1.465 (3) Å, values typical for C-N single bonds. The mol-ecules co-crystallized with H2O and EtOH mol-ecules from the solvent. In the crystal, there is a zigzag chain along [010] of water mol-ecules linked by one of the Br(-) anions via O-H⋯Br hydrogen bonds. The second Br(-) anion is hydrogen bonded (O-H⋯Br) to the ethanol solvent mol-ecule. There are also a number of C-H⋯Br and C-H⋯O hydrogen bonds present, leading to the formation of a two-dimensional network lying parallel to the bc plane.
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عنوان ژورنال:
دوره 69 شماره
صفحات -
تاریخ انتشار 2013