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1,1′-Methyl­enebis[3-(2,6-diiso­propyl­phen­yl)-3,4,5,6-tetra­hydro­pyrimidin-1-ium] dibromide ethanol monosolvate monohydrate

In the title methyl­ene-bridged di(tetra­hydro­pyrimidinium) salt, C(33)H(50)N(4) (2+)·2Br(−)·C(2)H(5)OH·H(2)O, the two tetra­hydro­pyrimidinium rings have envelope conformations with the central CH(2) C atom as the flap. Their mean planes are inclined to one another by 73.31 (13)° and the attached...

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Detalles Bibliográficos
Autores principales: Bian, Huanyu, Yang, Liangru, Yuan, Jinwei, Mao, Pu, Xiao, Yongmei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884396/
https://www.ncbi.nlm.nih.gov/pubmed/24427021
http://dx.doi.org/10.1107/S1600536813021004
Descripción
Sumario:In the title methyl­ene-bridged di(tetra­hydro­pyrimidinium) salt, C(33)H(50)N(4) (2+)·2Br(−)·C(2)H(5)OH·H(2)O, the two tetra­hydro­pyrimidinium rings have envelope conformations with the central CH(2) 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) Å, 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) Å, values typical for C—N single bonds. The mol­ecules co-crystallized with H(2)O 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.