Information card for entry 7238872

Structure parameters

• Formula: C9 H7 N5 O2
• Calculated formula: C9 H7 N5 O2
• Title of publication: “On water” one-pot synthesis of quaternary centered 3-hydroxy-3-(1H-tetrazol-5-yl)indolin-2-ones
• Authors of publication: Saiprathima, Parvathaneni; Srinivas, Keesara; Sridhar, Balasubramanian; Rao, Mandapati Mohan
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 21
• Pages of publication: 7708
• a: 9.8335 ± 0.0007 Å
• b: 8.2851 ± 0.0006 Å
• c: 12.1849 ± 0.0008 Å
• α: 90°
• β: 102.006 ± 0°
• γ: 90°
• Cell volume: 971.01 ± 0.12 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No