Information card for entry 2013027

Structure parameters

• Common name: 7-MI
• Chemical name: 7-methoxy-1H-indazole
• Formula: C8 H8 N2 O
• Calculated formula: C8 H8 N2 O
• SMILES: c12[nH]ncc1cccc2OC
• Title of publication: 7-Methoxy-1<i>H</i>-indazole, a new inhibitor of neuronal nitric oxide synthase
• Authors of publication: Sopková-de Oliveira Santos, Jana; Collot, Valerie; Rault, Sylvain
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: o688 - o690
• a: 14.1297 ± 0.0005 Å
• b: 16.0074 ± 0.0007 Å
• c: 15.699 ± 0.001 Å
• α: 90°
• β: 102.533 ± 0.004°
• γ: 90°
• Cell volume: 3466.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.178
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes