Information card for entry 7245774

Structure parameters

• Common name: 2-((E)-((E)-(2-hydroxybenzylidene)hydrazono)(phenyl)methyl)phenol
• Chemical name: 2-((E)-((E)-(2-hydroxybenzylidene)hydrazono)(phenyl)methyl)phenol
• Formula: C20 H16 N2 O2
• Calculated formula: C20 H16 N2 O2
• SMILES: Oc1ccccc1/C=N/N=C(/c1c(O)cccc1)c1ccccc1
• Title of publication: ESIPT geometrical isomers with distinct mechanofluorochromism and intra/intermolecular H-bonding controlled tunable fluorescence
• Authors of publication: Gayathri, Parthasarathy; Ravi, Sasikala; Akshaya, K.; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 10.775 ± 0.002 Å
• b: 6.069 ± 0.0012 Å
• c: 24.422 ± 0.005 Å
• α: 90°
• β: 91.36 ± 0.03°
• γ: 90°
• Cell volume: 1596.6 ± 0.5 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 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: 0.0589
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No