Information card for entry 7227635

Structure parameters

• Formula: C24 H19 N3 O3
• Calculated formula: C24 H19 N3 O3
• SMILES: O=C1N(c2c(C\1=N/c1ccccc1)cccc2)C.O=C1N(c2c(C1=O)cccc2)C
• Title of publication: Conformational stabilization of isatin Schiff bases ‒ biologically active chemical probes
• Authors of publication: Smirnov, Andrey S.; Nikolaev, Dmitriy N.; Gurzhiy, Vlad V.; Smirnov, Sergey N.; Suslonov, Vitaliy S.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 17
• Pages of publication: 10070
• a: 7.8377 ± 0.0002 Å
• b: 8.33995 ± 0.00019 Å
• c: 31.7116 ± 0.0006 Å
• α: 85.8492 ± 0.0017°
• β: 85.7112 ± 0.0018°
• γ: 69.989 ± 0.002°
• Cell volume: 1939.84 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0637
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No