Information card for entry 7220706

Structure parameters

• Formula: C23 H21 N3 O2 Sn
• Calculated formula: C23 H21 N3 O2 Sn
• SMILES: C1(O[Sn]2(c3ccccc3)(c3ccccc3)[N](=C(C=C(C)O2)C)N=1)c1ccncc1
• Title of publication: Synthesis and spectroscopic characterization of diorganotin(iv) complexes of N′-(4-hydroxypent-3-en-2-ylidene)isonicotinohydrazide: chemotherapeutic potential validation by in vitro interaction studies with DNA/HSA, DFT, molecular docking and cytotoxic activity
• Authors of publication: Yadav, Shipra; Yousuf, Imtiyaz; Usman, Mohammad; Ahmad, Musheer; Arjmand, Farukh; Tabassum, Sartaj
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 63
• Pages of publication: 50673
• a: 9.0499 ± 0.0005 Å
• b: 22.576 ± 0.004 Å
• c: 10.339 ± 0.002 Å
• α: 90°
• β: 95.574 ± 0.003°
• γ: 90°
• Cell volume: 2102.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0502
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No