Information card for entry 7059453

Structure parameters

• Chemical name: (E)-3-(2-(2-(4-methoxybenzylidene)hydrazinyl)thiazol-4-yl)-2H-chromen-2-one
• Formula: C20 H15 N3 O3 S
• Calculated formula: C20 H15 N3 O3 S
• SMILES: s1c(nc(c2cc3c(oc2=O)cccc3)c1)N/N=C/c1ccc(OC)cc1
• Title of publication: Synthesis, photophysical and electrochemical properties of donor–acceptor type hydrazinyl thiazolyl coumarins
• Authors of publication: Godugu, Kumar; Gundala, Thrivikram Reddy; Bodapati, Ramakrishna; Yadala, Venkata Divya Sri; Loka, Subramanyam Sarma; Nallagondu, Chinna Gangi Reddy
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 7007 - 7016
• a: 13.1185 ± 0.0007 Å
• b: 20.3561 ± 0.0007 Å
• c: 14.7486 ± 0.001 Å
• α: 90°
• β: 115.387 ± 0.007°
• γ: 90°
• Cell volume: 3558.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1842
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.2082
• Weighted residual factors for all reflections included in the refinement: 0.2701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No