Information card for entry 7230598

Structure parameters

• Chemical name: Hydroxy thiosemicarbazide derivative
• Formula: C9 H11 N3 O S
• Calculated formula: C9 H11 N3 O S
• Title of publication: Copper complexes as prospective anticancer agents: in vitro and in vivo evaluation, selective targeting of cancer cells by DNA damage and S phase arrest
• Authors of publication: Mahendiran, Dharmasivam; Amuthakala, Sethu; Bhuvanesh, Nattamai S. P.; Kumar, Raju Senthil; Rahiman, Aziz Kalilur
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 30
• Pages of publication: 16973
• a: 6.885 ± 0.003 Å
• b: 7.108 ± 0.003 Å
• c: 11.23 ± 0.004 Å
• α: 74.336 ± 0.004°
• β: 76.662 ± 0.004°
• γ: 73.802 ± 0.004°
• Cell volume: 500.9 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No