Information card for entry 7062567

Structure parameters

• Formula: C22 H21 N3 O2
• Calculated formula: C22 H21 N3 O2
• Title of publication: Two-pot sequential multicomponent metal-free synthesis of pyrrolo[2,3-d]pyridazin-7-ones and pyrrolo[2,3-d]pyrizidines
• Authors of publication: Mamta,; Mir, Nisar A.; Yadav, Jyothi; Pawar, Amol Prakash; Sharma, Ratika; Kant, Rajni; Rangan, Krishnan; Iype, Eldhose; Khungar, Bharti; Kumar, Indresh
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 31
• Pages of publication: 14637 - 14645
• a: 7.1067 ± 0.0008 Å
• b: 9.6899 ± 0.001 Å
• c: 14.5223 ± 0.0012 Å
• α: 84.346 ± 0.008°
• β: 77.804 ± 0.008°
• γ: 73.771 ± 0.01°
• Cell volume: 937.7 ± 0.17 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: 0.1416
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No