Information card for entry 2243883

Structure parameters

• Chemical name: <i>N</i>'-[2-(Benzo[<i>d</i>]thiazol-2-yl)acetyl]benzohydrazide
• Formula: C16 H13 N3 O2 S
• Calculated formula: C16 H13 N3 O2 S
• SMILES: s1c(nc2ccccc12)CC(=O)NNC(=O)c1ccccc1
• Title of publication: Crystal structure of <i>N</i>'-[2-(benzo[<i>d</i>]thiazol-2-yl)acetyl]benzohydrazide, an achiral compound crystallizing in space group <i>P</i>1 with <i>Z</i> = 1
• Authors of publication: Azzam, Rasha A.; Elgemeie, Galal H.; Seif, Mona M.; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 9
• a: 4.71248 ± 0.00009 Å
• b: 6.96463 ± 0.00014 Å
• c: 11.5455 ± 0.0003 Å
• α: 105.617 ± 0.0018°
• β: 95.7876 ± 0.0016°
• γ: 95.9993 ± 0.0016°
• Cell volume: 359.638 ± 0.014 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes