Information card for entry 7122375

Structure parameters

• Formula: C9 H11 N3 S
• Calculated formula: C9 H11 N3 S
• Title of publication: Selected aryl thiosemicarbazones as a new class of multi-targeted monoamine oxidase inhibitors.
• Authors of publication: Mathew, Bijo; Baek, Seung Cheol; Grace Thomas Parambi, Della; Pil Lee, Jae; Joy, Monu; Annie Rilda, P. R.; Randev, Rugma V.; Nithyamol, P.; Vijayan, Vijitha; Inasu, Sini T.; Mathew, Githa Elizabeth; Lohidakshan, Krishnakumar K.; Kumar Krishnan, Girish; Kim, Hoon
• Journal of publication: MedChemComm
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 1871 - 1881
• a: 13.2482 ± 0.0009 Å
• b: 8.2243 ± 0.0004 Å
• c: 10.2827 ± 0.0007 Å
• α: 90°
• β: 111.265 ± 0.003°
• γ: 90°
• Cell volume: 1044.09 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1115
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No