Information card for entry 4510550

Structure parameters

• Chemical name: 1,5-bis(salicylidene)carbohydrazide
• Formula: C15 H14 N4 O3
• Calculated formula: C15 H14 N4 O3
• SMILES: N(=C\c1c(O)cccc1)/NC(=O)N/N=C/c1ccccc1O
• Title of publication: Multiple Solid Forms of 1,5-Bis(salicylidene)carbohydrazide: Polymorph-Modulated Thermal Reactivity
• Authors of publication: Rubčić, Mirta; Galić, Nives; Halasz, Ivan; Jednačak, Tomislav; Judaš, Nenad; Plavec, Janez; Šket, Primož; Novak, Predrag
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 2900
• a: 10.5804 ± 0.0012 Å
• b: 15.7399 ± 0.0018 Å
• c: 9.0114 ± 0.0011 Å
• α: 90°
• β: 97.649 ± 0.011°
• γ: 90°
• Cell volume: 1487.4 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.067
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No