Information card for entry 7251282

Structure parameters

• Common name: Azonitrile
• Chemical name: (E)-4-((4-propoxyphenyl)diazenyl)benzonitrile
• Formula: C16 H15 N3 O
• Calculated formula: C16 H15 N3 O
• Title of publication: Structural and computational study of reversibly photo switchable (E)-4-((4-alkoxyphenyl)diazenyl)benzonitrile based liquid crystals
• Authors of publication: Thakur, Jyoti Swarup; Dash, Omkar; Bhale, Nagesh A.; Mondal, Pradip Kumar; Dikundwar, Amol Gopalrao; Polentarutti, Maurizio; Nayak, Susanta K.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 5.95 ± 0.0012 Å
• b: 18.537 ± 0.004 Å
• c: 19.114 ± 0.004 Å
• α: 73.39 ± 0.03°
• β: 87.85 ± 0.03°
• γ: 88.91 ± 0.03°
• Cell volume: 2018.7 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0671
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1844
• Weighted residual factors for all reflections included in the refinement: 0.1918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No