Information card for entry 1508379

Structure parameters

• Chemical name: 2-(4-methoxybenzyl)-4-nitro-2H-indazole
• Formula: C15 H13 N3 O3
• Calculated formula: C15 H13 N3 O3
• SMILES: c12c(c(ccc1)N(=O)=O)cn(n2)Cc1ccc(cc1)OC
• Title of publication: The Synthesis and Molecular Structure of 2-(4-Methoxybenzyl)-4-nitro-2H-indazole
• Authors of publication: Mamat, Constantin; Köckerling, Martin
• Journal of publication: Crystals
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 176 - 181
• a: 6.8994 ± 0.0001 Å
• b: 9.8052 ± 0.0002 Å
• c: 11.1525 ± 0.0002 Å
• α: 71.729 ± 0.001°
• β: 79.436 ± 0.001°
• γ: 74.349 ± 0.001°
• Cell volume: 685.83 ± 0.02 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.058
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No