Information card for entry 7231896

Structure parameters

• Formula: C14 H12 N2 O3
• Calculated formula: C14 H12 N2 O3
• Title of publication: 1,2,3-Triazole‒quinazolin-4(3H)-one conjugates: evolution of ergosterol inhibitor as anticandidal agent
• Authors of publication: Masood, Mir Mohammad; Irfan, Mohammad; Khan, Parvez; Alajmi, Mohamed F.; Hussain, Afzal; Garrison, Jered; Rehman, Md. Tabish; Abid, Mohammad
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 69
• Pages of publication: 39611
• a: 11.30704 ± 0.00018 Å
• b: 10.56186 ± 0.00012 Å
• c: 11.46113 ± 0.00018 Å
• α: 90°
• β: 115.006 ± 0.0019°
• γ: 90°
• Cell volume: 1240.43 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No