Information card for entry 7229878

Structure parameters

• Formula: C14 H15 N3 O3 S
• Calculated formula: C14 H15 N3 O3 S
• SMILES: S=C(NC)N/N=C(C)/c1c(=O)oc2cc(OC)ccc2c1
• Title of publication: An investigation on 3-acetyl-7-methoxy-coumarin Schiff bases and their Ru(ii) metallates with potent antiproliferative activity and enhanced LDH and NO release
• Authors of publication: Kalaiarasi, G.; Jeya Rajkumar, S. Rex; Dharani, S.; Małecki, J. G.; Prabhakaran, R.
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 1539
• a: 17.5595 ± 0.0009 Å
• b: 17.5595 ± 0.0009 Å
• c: 8.6657 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2314 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No