Information card for entry 7055093

Structure parameters

• Formula: C17 H19 N5 O5 S
• Calculated formula: C17 H19 N5 O5 S
• SMILES: O=S(=O)(c1ccc(cc1)NC(=O)C)NCc1nc2ccccc2c(=O)n1N.O
• Title of publication: Novel stereoselective 2,3-disubstituted quinazoline-4(3H)-one derivatives derived from glycine as a potent antimalarial lead
• Authors of publication: Patel, Tarosh S.; Vanparia, Satish F.; Gandhi, Sahaj A.; Patel, Urmila H.; Dixit, Ritu B.; Chudasama, Chaitanya J.; Dixit, Bharat C.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 11
• Pages of publication: 8638
• a: 8.89 ± 0.0002 Å
• b: 10.3346 ± 0.0002 Å
• c: 11.2245 ± 0.0002 Å
• α: 115.313 ± 0.001°
• β: 95.614 ± 0.001°
• γ: 93.303 ± 0.001°
• Cell volume: 922.08 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No