Information card for entry 2203228

Structure parameters

• Chemical name: 4-(phenylamino)sydno[3,4-a]quinoxaline
• Formula: C15 H10 N4 O2
• Calculated formula: C15 H10 N4 O2
• SMILES: N(c1nc2c(n3=NOC(=O)c13)cccc2)c1ccccc1
• Title of publication: A new sydnone structure: 4-(phenylamino)sydno[3,4-<i>a</i>]quinoxaline
• 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: 2
• Pages of publication: o258 - o259
• a: 29.427 ± 0.011 Å
• b: 5.2611 ± 0.0017 Å
• c: 17.947 ± 0.01 Å
• α: 90°
• β: 116.2 ± 0.02°
• γ: 90°
• Cell volume: 2493.1 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No