Information card for entry 7055278

Structure parameters

• Chemical name: Pyridazine hydrazine compound
• Formula: C15 H18 Cl N5 O
• Calculated formula: C15 H18 Cl N5 O
• SMILES: c1(ccc(N/N=C/c2ccc(cc2O)N(CC)CC)nn1)Cl
• Title of publication: New pyridazine-based binuclear nickel(ii), copper(ii) and zinc(ii) complexes as prospective anticancer agents
• Authors of publication: Rafi, Ummer Muhammed; Mahendiran, Dharmasivam; Haleel, Azees Khan; Nankar, Rakesh Pandeet; Doble, Mukesh; Rahiman, Aziz Kalilur
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 2451
• a: 6.7997 ± 0.0005 Å
• b: 9.5387 ± 0.0008 Å
• c: 24.3565 ± 0.0019 Å
• α: 90°
• β: 95.512 ± 0.008°
• γ: 90°
• Cell volume: 1572.5 ± 0.2 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: 0.153
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.1891
• Weighted residual factors for all reflections included in the refinement: 0.215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No