Information card for entry 2233265

Structure parameters

• Formula: C14 H14 Cl N3 O
• Calculated formula: C14 H14 Cl N3 O
• SMILES: Clc1ccc(c2N/C(=C(C#N)\C(=O)N)C(c12)(C)C)C
• Title of publication: 2-(4-Chloro-3,3,7-trimethyl-2,3-dihydro-1<i>H</i>-indol-2-ylidene)-2-cyanoacetamide
• Authors of publication: Helliwell, Madeleine; Baradarani, Mehdi M.; Alyari, Maryam; Afghan, Arash; Joule, John A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o234
• a: 8.226 ± 0.002 Å
• b: 9.282 ± 0.003 Å
• c: 9.744 ± 0.003 Å
• α: 92.124 ± 0.005°
• β: 104.766 ± 0.005°
• γ: 105.294 ± 0.004°
• Cell volume: 689.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.113
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes