Coordination behavior of dinuclear silver complex of sulfamethoxazole with solvent molecule having static rotational disorder: Spectroscopic characterization, crystal structure, Hirshfeld surface and antimicrobial activity

Spironolactone: New Polymorphic Form III and Revisiting Form II at Low Temperatures

“…In a study concerning the packing features of simple alkanes, Spackmann and McKinnon found a disordered structure of butane featuring the central sharp spike on the diagonal of the fingerprint plot . This seems to be a rather common appearance and is caused by overemphasized contacts of dynamically or statically disordered C–H groups to neighboring molecules. − The second type, the doubling of this central spike as found here in II (compared with Figure ), can be explained similarly, with the addition, that the intersection of disordered molecule parts simulate donor–acceptor interactions with an impact on the resulting d e and d i values. , Neighboring disordered alkyl chains also produce this effect frequently. , The third type is particularly puzzling, as in this study it appears in a disordered Z ′ = 2 structure ( II at 150 K, see the Supporting Information), but rather sparsely, hinting at lowly weighted contributions. This raises the question if this is just the second type again but in combination with multiple independent molecules in the asymmetric unit.…”

Visible light-driven photocatalysts, quantum chemical calculations, ADMET-SAR parameters, and DNA binding studies of nickel complex of sulfadiazine

“…The value of dnorm is depending on the intermolecular contacts being less than, greater than, and equal to the van der Waals separations and is shown by the surface with a red spot representing shorter contacts, white areas representing contacts around the van der Waals separation, and blue regions are devoid of close contacts. The surface shape index and curvedness highlighted the C–H…π and π…π intermolecular interactions respectively 44 , 45 . All the calculations of an optimized structure of Ni-SDZ molecule were performed using the Jaguar program as built in the Schrödinger package software at B3LYP/LAV2P* level of theory 46 – 50 .…”

Spectroscopic Characterization, Thermogravimetry and Biological Studies of Ru(III), Pt(IV), Au(III) Complexes with Sulfamethoxazole Drug Ligand

“…The functional groups contributing to the coordination are allocated stretching vibration bands (Table 3). The free ligand shows two strong bands at 3466 cm -1 , 3377 cm -1 and 3298 cm -1 , relating to the asymmetric and symmetric stretching vibrations of the aromatic amino group (NH2) and sulfonamide (NH), respectively [39]. After chelation, the…”

“…The functional groups contributing to the coordination are allocated stretching vibration bands (Table 3). The free ligand shows two strong bands at 3466 cm −1 , 3377 cm −1 and 3298 cm −1 , relating to the asymmetric and symmetric stretching vibrations of the aromatic amino group (NH 2 ) and sulfonamide (NH), respectively [39]. After chelation, the C=N stretching vibration peak in SMX shifted to elevated frequency values at 1693 cm −1 designed for Ru(III) and to lower frequency values at 1606 cm −1 and 1608 cm −1 used for Pt(IV) and Au(III) complexes, correspondingly [3].…”

“…The biological features of sulfamethoxazole complexes with Au(III), Cd(II), Ni(II), and Zn(II) have been investigated in many papers [29][30][31][32][33][34][35][36][37][38][39][40]. It is worth noting that sulfamethoxazole Au(I) and Ag(I) compounds were earlier synthesized and described using X-ray diffraction, with the influence of these complexes on Gram-negative and Gram-positive microorganisms being examined [30].…”