Information card for entry 7238873

Structure parameters

• Formula: C15 H12 N6 O
• Calculated formula: C15 H12 N6 O
• 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: 12.6583 ± 0.0008 Å
• b: 7.1048 ± 0.0004 Å
• c: 15.7542 ± 0.001 Å
• α: 90°
• β: 104.404 ± 0.001°
• γ: 90°
• Cell volume: 1372.31 ± 0.15 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: 0.0385
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No