Information card for entry 7154544

Structure parameters

• Chemical name: 2,10-dimethyl-3-nitro-10H-pyrazolo[1',5':1,6]pyrido[2,3-b]indole
• Formula: C15 H12 N4 O2
• Calculated formula: C15 H12 N4 O2
• SMILES: c1(c(C)nn2c1ccc1c2n(C)c2c1cccc2)N(=O)=O
• Title of publication: Tandem copper (Cu) catalysed N-arylation-vinylogous nitroaldol condensation of 3,5-disubstituted 4-nitropyrazoles.
• Authors of publication: Obulesu, Owk; Nanubolu, Jagadeesh Babu; Suresh, Surisetti
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 30
• Pages of publication: 8232 - 8240
• a: 7.1508 ± 0.001 Å
• b: 9.6154 ± 0.0014 Å
• c: 10.0654 ± 0.0014 Å
• α: 82.965 ± 0.002°
• β: 70.019 ± 0.002°
• γ: 87.23 ± 0.002°
• Cell volume: 645.5 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0666
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No