Information card for entry 7235946

Structure parameters

• Chemical name: E)-N'-(biphenyl-4-ylmethylene)-2-(4-bromophenyl)acetohydrazide
• Formula: C21 H17 Br N2 O
• Calculated formula: C21 H17 Br N2 O
• Title of publication: Influence of the diversified structural variations at the imine functionality of 4-bromophenylacetic acid derived hydrazones on alkaline phosphatase inhibition: synthesis and molecular modelling studies
• Authors of publication: Khan, Imtiaz; Ibrar, Aliya; Ejaz, Syeda Abida; Khan, Shafi Ullah; Shah, Syed Jawad Ali; Hameed, Shahid; Simpson, Jim; Lecka, Joanna; Sévigny, Jean; Iqbal, Jamshed
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 110
• Pages of publication: 90806
• a: 20.4423 ± 0.0011 Å
• b: 5.5758 ± 0.0003 Å
• c: 7.635 ± 0.0007 Å
• α: 90°
• β: 98.621 ± 0.007°
• γ: 90°
• Cell volume: 860.42 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.2443
• Weighted residual factors for all reflections included in the refinement: 0.2495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No