Information card for entry 7245776

Structure parameters

• Common name: 2-((E)-((E)-((2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-5-methoxyphenol
• Chemical name: 2-((E)-((E)-((2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-5-methoxyphenol
• Formula: C21 H18 N2 O3
• Calculated formula: C21 H18 N2 O3
• SMILES: Oc1ccccc1C(=N\N=C\c1c(O)ccc(OC)c1)\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: 8.142 ± 0.0016 Å
• b: 10.456 ± 0.002 Å
• c: 11.064 ± 0.002 Å
• α: 77.3 ± 0.03°
• β: 86.19 ± 0.03°
• γ: 71.59 ± 0.03°
• Cell volume: 871.8 ± 0.3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.0632
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No