Information card for entry 7158383

Structure parameters

• Common name: 1,5-bis(thiophenyl)-2,4-bis(methylbenzyl)-carbohydrazide
• Chemical name: 1,5-bis(thiophenyl)-2,4-bis(methylbenzyl)-carbohydrazide
• Formula: C25 H22 N4 O S2
• Calculated formula: C25 H22 N4 O S2
• SMILES: s1c(/C=N/N(C(=O)N(/N=C/c2sccc2)Cc2ccccc2)Cc2ccccc2)ccc1
• Title of publication: Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.
• Authors of publication: Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 46
• Pages of publication: 10120 - 10138
• a: 18.9089 ± 0.0003 Å
• b: 11.613 ± 0.0002 Å
• c: 10.5619 ± 0.0002 Å
• α: 90°
• β: 90.812 ± 0.002°
• γ: 90°
• Cell volume: 2319.04 ± 0.07 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No