Information card for entry 7235945

Structure parameters

• Chemical name: (E)-N'-(2-(allyloxy)benzylidene)-2-(4-bromophenyl)acetohydrazide
• Formula: C18 H17 Br N2 O2
• Calculated formula: C18 H17 Br N2 O2
• 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: 14.6957 ± 0.0003 Å
• b: 4.84494 ± 0.00011 Å
• c: 23.1542 ± 0.0005 Å
• α: 90°
• β: 102.219 ± 0.002°
• γ: 90°
• Cell volume: 1611.23 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0616
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No