Information card for entry 7227095

Structure parameters

• Formula: C17 H16 Cl N3 O3
• Calculated formula: C17 H16 Cl N3 O3
• SMILES: [Cl-].[nH+]1c2c(ccc1/C=N/NC(=O)c1ccc(O)cc1)cccc2.O
• Title of publication: Synthesis and biological evaluation of heterocyclic hydrazone transition metal complexes as potential anticancer agents
• Authors of publication: jungang, deng; Yunpeng, Du; Wei, Chen; Xiang, Fu; Hang, Deng
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.2591 ± 0.0003 Å
• b: 18.757 ± 0.001 Å
• c: 12.209 ± 0.0005 Å
• α: 90°
• β: 103.578 ± 0.004°
• γ: 90°
• Cell volume: 1615.9 ± 0.13 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.0867
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No