Information card for entry 2226060

Structure parameters

• Chemical name: 1-(1-Nonyl-2-oxoindolin-3-ylidene)thiosemicarbazide
• Formula: C18 H26 N4 O S
• Calculated formula: C18 H26 N4 O S
• SMILES: S=C(N)N/N=C\1c2ccccc2N(C1=O)CCCCCCCCC
• Title of publication: 1-(1-Nonyl-2-oxoindolin-3-ylidene)thiosemicarbazide
• Authors of publication: Mamari, Khalil; Zerzouf, Abdelfettah; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1332
• a: 11.5343 ± 0.0002 Å
• b: 10.5921 ± 0.0002 Å
• c: 15.6262 ± 0.0003 Å
• α: 90°
• β: 95.922 ± 0.001°
• γ: 90°
• Cell volume: 1898.9 ± 0.06 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.068
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes