Information card for entry 7124499

Structure parameters

• Common name: quinazoline
• Formula: C24 H25 Cl N4 O4 S
• Calculated formula: C24 H25 Cl N4 O4 S
• Title of publication: An unprecedented N- to C-sulfonyl migration in the reaction of azomethine amine and allenoates: Access to arylsulfonylmethyl substituted pyrazolo[1,5-c]quinazoline and mechanistic studies
• Authors of publication: Ansari, Arshad J.; Wani, Aabid; Maurya, Antim Kumar; Verma, Sarika; Agnihotri, Vijai K.; Sharon, Ashoke; Bharatam, Prasad V.; Sawant, Devesh M.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 22.4467 ± 0.0013 Å
• b: 18.9064 ± 0.0009 Å
• c: 11.4637 ± 0.0005 Å
• α: 90°
• β: 97.463 ± 0.005°
• γ: 90°
• Cell volume: 4823.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1147
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.2421
• Weighted residual factors for all reflections included in the refinement: 0.2696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No