Information card for entry 7246288

Structure parameters

• Chemical name: Hydrazone
• Formula: C17 H14 Cl N5 O S
• Calculated formula: C17 H14 Cl N5 O S
• SMILES: s1c(nc(C(=O)N/N=C(/c2ncccc2)C)c1)Nc1ccc(Cl)cc1
• Title of publication: Development of thiazole appended novel hydrazones as a new class of α-amylase inhibitors with anticancer assets: An in silico and in vitro approach
• Authors of publication: Sindhu, Jayant; Chahal, Sandhya; Punia, Jyoti; Rani, Payal; Singh, Rajvir; ., Mayank; Kumar, Parvin; Kataria, Ramesh; Joshi, Gaurav
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2023
• a: 11.5221 ± 0.0005 Å
• b: 15.2245 ± 0.0007 Å
• c: 10.1523 ± 0.0005 Å
• α: 90°
• β: 105.553 ± 0.005°
• γ: 90°
• Cell volume: 1715.69 ± 0.14 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: 0.0871
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0325
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No