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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Yuan, Jinwei Bian, Huanyu Mao, Pu Yang, Liangru Xiao, Yongmei |
| Description | Author Affiliation: Bian H ( College of Chemistry and Chemical Engineering, Henan University of Technology, Zhengzhou 450001, People's Republic of China.); Yang L ( College of Chemistry and Chemical Engineering, Henan University of Technology, Zhengzhou 450001, People's Republic of China.); Yuan J ( College of Chemistry and Chemical Engineering, Henan University of Technology, Zhengzhou 450001, People's Republic of China.); Mao P ( College of Chemistry and Chemical Engineering, Henan University of Technology, Zhengzhou 450001, People's Republic of China.); Xiao Y ( College of Chemistry and Chemical Engineering, Henan University of Technology, Zhengzhou 450001, People's Republic of China.) |
| Abstract | 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. |
| ISSN | 20569890 |
| e-ISSN | 16005368 |
| Journal | Acta Crystallographica Section E Structure Reports Online |
| Issue Number | Pt 9 |
| Volume Number | 69 |
| Language | English |
| Publisher | IUCr/Wiley |
| Publisher Date | 2013-01-01 |
| Publisher Place | United States |
| Access Restriction | Open |
| Subject Keyword | Crystallography |
| Content Type | Text |
| Resource Type | Article |
| Subject | Chemistry Condensed Matter Physics Materials Science |
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