Information card for entry 2236265

Structure parameters

• Chemical name: (2<i>Z</i>)-<i>N</i>-(2-Chlorobenzyl)-2-(2-oxo-2,3-dihydro-1<i>H</i>-indol- 3-ylidene)hydrazinecarbothioamide
• Formula: C16 H13 Cl N4 O S
• Calculated formula: C16 H13 Cl N4 O S
• SMILES: Clc1c(CNC(=S)N/N=C\2c3ccccc3NC2=O)cccc1
• Title of publication: (2<i>Z</i>)-<i>N</i>-(2-Chlorobenzyl)-2-(2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene)hydrazinecarbothioamide
• Authors of publication: Pervez, Humayun; Khan, Nazia; Iqbal, Mohammad S.; Yaqub, Muhammad; Tahir, M. Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2731
• a: 13.7017 ± 0.001 Å
• b: 14.1585 ± 0.001 Å
• c: 8.2698 ± 0.0005 Å
• α: 90°
• β: 93.151 ± 0.003°
• γ: 90°
• Cell volume: 1601.88 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0785
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes