Information card for entry 8107481

Structure parameters

• Chemical name: 2-bromo-1,3-phenylene bis(4-methylbenzenesulfonate)
• Formula: C22 H22 N4 O4
• Calculated formula: C22 H22 N4 O4
• Title of publication: The crystal structure of N′1,N′3-di((E)-benzylidene) isophthalohydrazide dihydrate, C 22 H 22 N 4 O 4
• Authors of publication: Lai, Ni; Zhang, Sheng-Ting; Zou, Fei; Yuan, Lin; Li, Zhong-Yan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 3
• Pages of publication: 511 - 512
• a: 34.315 ± 0.013 Å
• b: 6.701 ± 0.003 Å
• c: 9.105 ± 0.003 Å
• α: 90°
• β: 98.51 ± 0.004°
• γ: 90°
• Cell volume: 2070.6 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No