Crystal Structures of two Imidazole Derivatives
| Autor: | Kikkeri N. Mohana, M. N. Ponnuswamyand, C. R. Raju, Padmarajaiah Nagaraja, Hemmige S. Yathirajan, B. Prabhuswamy, K. Palani, R. A. Thirumuruhan, P. Ambalavanan |
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| Rok vydání: | 2003 |
| Předmět: |
Nitrile
Hydrogen bond Chemistry Stereochemistry General Chemistry Crystal structure Triclinic crystal system Condensed Matter Physics Ring (chemistry) symbols.namesake Crystallography chemistry.chemical_compound symbols Imidazole General Materials Science van der Waals force Monoclinic crystal system |
| Zdroj: | Molecular Crystals and Liquid Crystals. 393:75-82 |
| ISSN: | 1563-5287 1542-1406 |
| DOI: | 10.1080/10587250307074 |
| Popis: | 2-n-Butyl-5-chloro-3H-imidazole-4-carbaldehyde (BCIC), C 8 H 11 ClN 2 O. F.W.=186.64, monoclinic, P2 1 /c, a=7.2617(3) A, b=13.2067(6) A, c=9.8491(4) A g =101.76(1)°, V=924.74(7) A 3 , Z=4, D cal =1.341 Mgm m 3 , w =0.367 mm m 1 , F 000 =392, u (MoK f )=0.71073 A, final R1 and wR2 are 0.049 and 0.126, respectively. 2-n-Butyl-4-chloro-1 [(2'-cyanobiphenyl-4-yl)methyl]-5-hydroxymethyl imidazole (BCCI), C 22 H 22 ClN 3 O, F.W.=379.88, triclinic, P 1¯, a=8.198(2) A, b=10.997(3) A, c=11.524(2) A, f =90.83(2)°, g =94.31(2)°, n =109.45(2)°, V=976.0(2) A 3 , Z=2, D cal =1.293 Mgm m 3 , w =1.856 mm m 1 , F 000 =400, u (CuK f )=1.5418 A, final R1 and wR2 are 0.081 and 0.239, respectively. The imidazole ring in both the molecules is planar. The n-butyl group adopts a bent conformation in BCIC where it is in extended conformation in BCCI. The biphenyl ring system orients at an angle of 45.1(1)° in BCCI. The molecules are stabilized by N-H N and O-H N type hydrogen bonds in addition to van der Waals forces. |
| Databáze: | OpenAIRE |
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