Information card for entry 2210837

Structure parameters

• Chemical name: 2-Methyl-1H-indole-3-carbaldehyde 2-thienoylhydrazone
• Formula: C15 H13 N3 O S
• Calculated formula: C15 H13 N3 O S
• SMILES: s1cccc1C(=O)NN=Cc1c([nH]c2ccccc12)C
• Title of publication: 2-Methyl-1<i>H</i>-indole-3-carbaldehyde 2-thienoylhydrazone
• Authors of publication: Ali, Hapipah M.; Najwa, Mohd Idris; Xie, Ming-Jin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4525 - o4526
• a: 11.688 ± 0.002 Å
• b: 11.546 ± 0.002 Å
• c: 10.133 ± 0.002 Å
• α: 90°
• β: 94.694 ± 0.002°
• γ: 90°
• Cell volume: 1362.9 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.153
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.209
• 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: No
• Has Fobs: Yes