Information card for entry 7239329

Structure parameters

• Formula: C14 H16 N2 O
• Calculated formula: C14 H16 N2 O
• Title of publication: Iodine-catalysed oxidative cyclisation of acylhydrazones to 2,5-substituted 1,3,4-oxadiazoles
• Authors of publication: Majji, Ganesh; Rout, Saroj Kumar; Guin, Srimanta; Gogoi, Anupal; Patel, Bhisma K.
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 11
• Pages of publication: 5357
• a: 5.7158 ± 0.0002 Å
• b: 9.9633 ± 0.0004 Å
• c: 11.1928 ± 0.0004 Å
• α: 108.896 ± 0.002°
• β: 92.553 ± 0.002°
• γ: 90.149 ± 0.002°
• Cell volume: 602.36 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No