Information card for entry 7221559

Structure parameters

• Formula: C19 H18 F N3 O3
• Calculated formula: C19 H18 F N3 O3
• Title of publication: Synthesis, growth, spectral studies, first-order molecular hyperpolarizability and Hirshfeld surface analysis of isonicotinohydrazide single crystals
• Authors of publication: Meenatchi, V.; Meenakshisundaram, SP.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.6739 ± 0.0004 Å
• b: 9.7386 ± 0.0004 Å
• c: 11.1516 ± 0.0005 Å
• α: 75.139 ± 0.001°
• β: 74.865 ± 0.002°
• γ: 88.181 ± 0.002°
• Cell volume: 878.28 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No