Information card for entry 8101069

Structure parameters

• Formula: C16 H14 N2 O4 S
• Calculated formula: C16 H14 N2 O4 S
• SMILES: S(=O)(=O)(C1=CCN(C1)c1ccc(N(=O)=O)cc1)c1ccccc1
• Title of publication: Crystal structure of 1-(4-nitrophenyl)-3-(phenylsulfonyl)-2,5-dihydro- 1H-pyrrole, C~16~H~14~N~2~O~4~S
• Authors of publication: Pearce, W. A.; Pyke, S. M.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 4
• Pages of publication: 529 - 530
• a: 6.291 ± 0.006 Å
• b: 23.73 ± 0.01 Å
• c: 10.175 ± 0.007 Å
• α: 90°
• β: 92.68 ± 0.08°
• γ: 90°
• Cell volume: 1517 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No