Information card for entry 7058390

Structure parameters

• Chemical name: N'-[(3Z)-2-oxo-1-propyl-1,2-dihydro-3H-indol-3-ylidene]furan-2-carbohydrazide
• Formula: C16 H15 N3 O3
• Calculated formula: C16 H15 N3 O3
• Title of publication: On the importance of antiparallel π‒π interactions in the solid state of isatin-based hydrazides
• Authors of publication: Ahmed, Muhammad Naeem; Arif, Maryam; Jabeen, Farah; Khan, Haroon Ahmed; Yasin, Khawaja Ansar; Tahir, Muhammad Nawaz; Franconetti, Antonio; Frontera, Antonio
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 21
• Pages of publication: 8122
• a: 6.977 ± 0.002 Å
• b: 9.0505 ± 0.0012 Å
• c: 23.689 ± 0.003 Å
• α: 90°
• β: 93.725 ± 0.005°
• γ: 90°
• Cell volume: 1492.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1855
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1981
• Weighted residual factors for all reflections included in the refinement: 0.2557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No