Information card for entry 2218229

Structure parameters

• Chemical name: 1<i>H</i>-Indole-3-carbaldehyde thiosemicarbazone
• Formula: C10 H10 N4 S
• Calculated formula: C10 H10 N4 S
• SMILES: S=C(N)NN=Cc1c[nH]c2c1cccc2
• Title of publication: 1<i>H</i>-Indole-3-carbaldehyde thiosemicarbazone
• Authors of publication: Rizal, Razali M.; Ali, Hapipah M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o919 - o920
• a: 7.1893 ± 0.0001 Å
• b: 11.1654 ± 0.0002 Å
• c: 13.5373 ± 0.0003 Å
• α: 68.887 ± 0.001°
• β: 85.048 ± 0.001°
• γ: 82.467 ± 0.001°
• Cell volume: 1004.07 ± 0.03 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes