Information card for entry 7246808

Structure parameters

• Formula: C14 H12 N4 O3 S
• Calculated formula: C14 H12 N4 O3 S
• SMILES: s1c(C(=O)N/N=C/2CCNc3c(N(=O)=O)cccc23)ccc1
• Title of publication: ANTI PROLIFERATIVE ACTIVITY OF NITROQUINOLONE FUSED ACYLHYDRAZONES AS NON-SMALL CELL HUMAN LUNG CANCER AGENTS
• Authors of publication: Nandakumar, Vandana; Sundarasamy, Amsaveni; Adhigaman , Kaviyarasu; Ramasamy, Sentamil Selvi; Paulpandi, Manickam; Kodiveri Muthukaliannan, Gothandam; Narayanasamy, Arul; THANGARAJ, SURESH
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2023
• a: 9.0301 ± 0.0004 Å
• b: 13.7515 ± 0.0007 Å
• c: 11.0994 ± 0.0007 Å
• α: 90°
• β: 94.892 ± 0.005°
• γ: 90°
• Cell volume: 1373.27 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.068
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No