Information card for entry 2218538

Structure parameters

• Chemical name: (E)-4-(Benzyloxy)benzaldehyde thiosemicarbazone
• Formula: C15 H15 N3 O S
• Calculated formula: C15 H15 N3 O S
• SMILES: S=C(N/N=C/c1ccc(OCc2ccccc2)cc1)N
• Title of publication: (<i>E</i>)-4-(Benzyloxy)benzaldehyde thiosemicarbazone
• Authors of publication: Tarafder, M. T. H.; Islam, M. A. A. A. A.; Crouse, K. A.; Chantrapromma, Suchada; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o988 - o989
• a: 11.0269 ± 0.0001 Å
• b: 12.6668 ± 0.0002 Å
• c: 10.8774 ± 0.0001 Å
• α: 90°
• β: 116.099 ± 0.001°
• γ: 90°
• Cell volume: 1364.39 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0405
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes