Information card for entry 8107547

Structure parameters

• Chemical name: The crystal structure of N'^1^,N'^3^-bis((E)-thiophen-2-ylmethylene) isophthalohydrazide monohydrate
• Formula: C18 H16 N4 O3 S2
• Calculated formula: C18 H16 N4 O3 S2
• Title of publication: The crystal structure of 1-ethyl-2-nitro-imidazole oxide, C5H7N3O3
• Authors of publication: Jun, Yuan; Bingheng, Wu; Yong, Wang; Jianlong, Wang; Duanlin, Cao; Lizhen, Chen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 4
• Pages of publication: 743 - 744
• a: 19.694 ± 0.004 Å
• b: 11.45 ± 0.002 Å
• c: 8.3382 ± 0.0016 Å
• α: 90°
• β: 91.82 ± 0.002°
• γ: 90°
• Cell volume: 1879.3 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.0447
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No