Information card for entry 1512979

Structure parameters

• Formula: C18 H15 Cl2 N3 O2
• Calculated formula: C18 H15 Cl2 N3 O2
• SMILES: Clc1cc(c(O)c(Cl)c1)/C=N/C1C(=O)N(N(C=1C)C)c1ccccc1
• Title of publication: Synthesis, spectral characterization and structural investigation on some 4-aminoantipyrine containing Schiff base Cu(II) complexes and their molecular association
• Authors of publication: P. Mosae Selvakumar; E. Suresh; P.S. Subramanian
• Journal of publication: Polyhedron
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 749 - 756
• a: 7.0141 ± 0.0008 Å
• b: 8.0449 ± 0.0009 Å
• c: 30.487 ± 0.003 Å
• α: 90°
• β: 90.972 ± 0.002°
• γ: 90°
• Cell volume: 1720.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0645
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No