Information card for entry 2204201

Structure parameters

• Chemical name: 4-hydroxy-4-benzylsydno[3,4-a](4H)indole
• Formula: C16 H12 N2 O3
• Calculated formula: C16 H12 N2 O3
• SMILES: N12c3c(C(O)(Cc4ccccc4)C=1C(=O)ON=2)cccc3
• Title of publication: The sydnone compound 4-hydroxy-4-benzylsydno[3,4-<i>a</i>]indole
• Authors of publication: Riddle, Gordon B.; Grossie, David A.; Turnbull, Kenneth
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1568 - o1570
• a: 9.502 ± 0.003 Å
• b: 11.906 ± 0.003 Å
• c: 13.676 ± 0.003 Å
• α: 105.712 ± 0.017°
• β: 108.29 ± 0.02°
• γ: 101.13 ± 0.02°
• Cell volume: 1347.1 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes