1,1'-Methyl-enebis[3-(2,6-diiso-propyl-phen-yl)-3,4,5,6-tetra-hydro-pyrimidin-1-ium] dibromide ethanol monosolvate monohydrate.
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TLDR
In the title methylene-bridged di(tetrahydropyrimidinium) salt, C33H50N4 2+·2Br−·C2H5OH·H2O, the two tetrahydromic rings have envelope conformations with the central CH2 C atom as the flap, leading to the formation of a two-dimensional network lying parallel to the bc plane.Abstract:
In the title methylene-bridged di(tetrahydropyrimidinium) salt, C33H50N42+·2Br−·C2H5OH·H2O, the two tetrahydropyrimidinium 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 tetrahydropyrimidinium rings are 1.314 (3) and 1.304 (3) A, values typical for C=N double bonds. The distances between the methylene-bridge C atom and the linked tetrahydropyrimidinium N atom are 1.457 (3) and 1.465 (3) A, values typical for C—N single bonds. The molecules co-crystallized with H2O and EtOH molecules from the solvent. In the crystal, there is a zigzag chain along [010] of water molecules 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 molecule. 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.read more
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