Information card for entry 7064456

Structure parameters

• Chemical name: E25LT
• Formula: C14 H9 N3 O2
• Calculated formula: C14 H9 N3 O2
• Title of publication: Mechanical Behaviour Modulation through Substituent Reversal in Schiff Base Molecular Crystals
• Authors of publication: Dogra, Sunanda; Harsha, Priyasha; Roy Choudhury, Angshuman
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• a: 3.7943 ± 0.0006 Å
• b: 22.906 ± 0.003 Å
• c: 13.931 ± 0.002 Å
• α: 90°
• β: 96.973 ± 0.015°
• γ: 90°
• Cell volume: 1201.8 ± 0.3 ų
• Cell temperature: 100 ± 0.01 K
• Ambient diffraction temperature: 100 ± 0.01 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No