Information card for entry 7058389

Structure parameters

• Chemical name: 2-Bromo-N'-[(3Z)-2-oxo-1-propyl-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide
• Formula: C18 H16 Br N3 O2
• Calculated formula: C18 H16 Br N3 O2
• 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: 7.9365 ± 0.0008 Å
• b: 19.667 ± 0.002 Å
• c: 10.929 ± 0.0012 Å
• α: 90°
• β: 93.512 ± 0.004°
• γ: 90°
• Cell volume: 1702.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1143
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No