Information card for entry 8100057

Structure parameters

• Formula: C18 H17 N3 O3 S
• Calculated formula: C18 H17 N3 O3 S
• SMILES: S(Cc1ccc(N(=O)=O)cc1)c1ncc(n1Cc1ccccc1)CO
• Title of publication: Crystal structure of {1-benzyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}-methanol, C~18~H~17~N~3~O~3~S
• Authors of publication: Ramazani, Ali; Marandi, Farzin; Souldozi, Ali; Jalilian, Amir Reza
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 2
• Pages of publication: 173 - 174
• a: 15.705 ± 0.002 Å
• b: 12.083 ± 0.0016 Å
• c: 9.3684 ± 0.0013 Å
• α: 90°
• β: 102.404 ± 0.003°
• γ: 90°
• Cell volume: 1736.3 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No