Information card for entry 7227636

Structure parameters

• Formula: C15 H12 Br2 Hg N2 O
• Calculated formula: C15 H12 Br2 Hg N2 O
• SMILES: [Hg]1([Br])(Br)[O]=C2N(c3c(C2=[N]1c1ccccc1)cccc3)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: 23.6723 ± 0.0011 Å
• b: 19.9737 ± 0.0005 Å
• c: 14.0418 ± 0.0004 Å
• α: 90°
• β: 101.024 ± 0.003°
• γ: 90°
• Cell volume: 6516.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1071
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No