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A new diorganotin(IV) complex with the formula SnCl2(CH3)2L2 (C1a), L = 4‐NC5H4CONHPO(NCH3CH2C6H5)2, was synthesized and characterized using 1H NMR, 13C NMR, 31P NMR, 119Sn NMR and infrared spectroscopies. The molecular structure of C1a was determined using X‐ray crystallography, revealing that C1a contains hexa‐coordinated Sn(IV) centres with trans‐configuration of donor atoms around them. Each Sn(IV) atom is positioned in the centre of inversion of an octahedron. C1a forms one‐dimensional chains via two equal intermolecular PO…HN hydrogen bonds. These hydrogen bonds produce centrosymmetric rings as a supramolecular hydrogen‐bonded pattern. In order to compare the relative stability of C1a (with N‐ligated configuration) and its possible O‐ligated isomer, C1b, density functional theory calculations were performed, the results showing a preference of C1a over C1b from an energy point of view. Also, natural bond orbital analysis was carried out to obtain detailed information on the electronic features of the optimized structures. The theoretical results show that intermolecular hydrogen bonding in the crystal structure has a significant role in the stabilization of C1a, and Sn(IV) interacts more strongly with the Npy atom than the PO functional group. Furthermore, the free ligand and its complex were tested against three human cancer cell lines, i.e. human cervical carcinoma (HeLa), human prostate cancer (PC‐3) and human breast adenocarcinoma cancer (MCF‐7). C1a displays moderate to good cytotoxicity towards all three cancer cell lines. Moreover, antibacterial tests were carried out using the disc‐diffusion method, in which C1a shows high activity against selected Gram‐negative and Gram‐positive bacteria. Copyright © 2015 John Wiley & Sons, Ltd.

{L = C 6 H 5 (O)P(NHC 6 H 11 ) 2 } have been synthesized by sonochemical processes at different concentrations without any surfactant or capping agent. The structure and morphology of the prepared complex were investigated by using SEM-EDAX, XRD, DLS, UV-Vis and FT-IR spectroscopy. Nanoparticles with well-defined rod shapes and sizes in the range 30-40 nm have been obtained. Also bulk form of the titled complex was synthesized and characterized by 1 H, 13 C, 31 P, 119 Sn NMR, UV-Vis and FT-IR spectroscopy and compared with its nano-size. The thermal stabilities at bulk and nano-size scale have been studied by thermal gravimetric (TG) and differential thermal analysis (DTA). Further, SnP 2 O 7 nanoparticles were synthesized by direct calcination at 730°C under air atmosphere and characterized using XRD, SEM, and TEM. From XRD measurements, we determined the mean size of the crystallites about 27.4 nm. It is found that the size and morphology of the tin pyrophosphate nano-structures are dependent upon the particles size of precursor compound as well. Two different forms of metal coordination compound (1a, 1b) and the corresponding ligand (L) were screened for their antibacterial activity against the selected Gram-positive and Gramnegative bacteria, showing bactericidal activity for complexes 1a and 1b. In vitro cytotoxicity of compounds was studied against human carcinoma cell lines, A2780 (ovarian cancer) and PC-3 (prostate cancer). Results indicated that 1a and 1b possess relatively strong cytotoxic activity against cancer cells with IC 50 values ranging from 93.2 to 376.2 μM for two exposure time (24 and 48 h).

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