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The title compound, CHNS, consists of two biologically relevant heterocyclic units, suggesting potential biological activity and possible use as a ligand in metal complexation. The compound crystallizes in the monoclinic space group 2/ and features non-classical inter-molecular C-H⋯N hydrogen bonds, along with π-π stacking inter-actions that contribute to the crystal cohesion. Hirshfeld surface analysis highlights significant inter-molecular inter-actions including, among others, N⋯H/H⋯N, S⋯H/H⋯S, and S⋯C/C⋯S contacts.
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http://dx.doi.org/10.1107/S2056989025004980 | DOI Listing |
J Phys Chem B
September 2025
National Research Institute of Chinese Medicine, Ministry of Health and Welfare, Taipei 11221, Taiwan, ROC.
The synthesis of -tetrakis(3,4,5-trimethoxyphenyl)porphyrin [HT(3,4,5-OCH)PP] and cobalt(II) -tetrakis(3,4,5-trimethoxyphenyl)porphyrin [Co(T(3,4,5-OCH)PP)] has been successfully accomplished. The oxidation properties of [Co(T(3,4,5-OCH)PP)] have been assessed through UV-vis, NMR, and EPR techniques. It can be seen in the UV-vis spectrum that adding SbCl caused extra peaks to appear at 674 nm, which means that a π-cation radical was formed.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
September 2025
Institute of Bioorganic Chemistry, Academy of Sciences of Uzbekistan, 100125, M., Ulugbek Str 83, Tashkent, Uzbekistan.
The title complex, [Ca(NO)(CHNO)(HO)], crystallizes with an eight-coordinate Ca ion in a distorted trigonal-dodeca-hedral coordination environment. The metal ion is coordinated to two nicotinamide ligands their carbonyl O atoms, two bidentate nitrate anions and two water mol-ecules. The nicotinamide ligands adopt a nearly geometry, while the nitrate anions and aqua ligands are arranged in a pseudo- fashion.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
September 2025
Department of Chemistry, Chemical Biology Lab., School of Chemical and Biotechnology, SASTRA Deemed University, Thanjavur, Tamilnadu-613401, India.
In the title salt, NH ·[B(CHO)], the boron atom is chelated by two malonate ligands in a bidentate fashion, resulting in a BO tetra-hedron with both chelate rings adopting shallow boat conformations. The extended structure features five N-H⋯O and three C-H⋯O hydrogen bonds, accounting for approximately 69.9% of the total inter-molecular inter-actions.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
September 2025
Department of Chemistry, University of Gondar, PO Box 196, Gondar, Ethiopia.
The conformation of the title mol-ecule, CHClNO, is maintained by intra-molecular N-H⋯O, C-H⋯O, and C-H⋯Cl inter-actions, creating (6), (5), and (6) motifs, respectively. In the crystal, inter-molecular N-H⋯O, C-H⋯O, and C-H⋯Cl inter-actions connect the mol-ecules, forming a three-dimensional network. Additionally, the mol-ecules are linked by C-H⋯π inter-actions, forming layers parallel to the (002) plane.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
September 2025
Department of Chemistry, University of Gondar, PO Box 196, Gondar, Ethiopia.
The mol-ecular conformation of the title compound, CHNO·CHNO, is consolidated by intra-molecular C-H⋯O O-H⋯O hydrogen bonds, forming an (6) ring motif. In the crystal, the mol-ecules are connected by C-H⋯O hydrogen bonds, forming layers parallel to the (101) plane. Furthermore, the mol-ecules form layers parallel to the (102) plane by C-H⋯π inter-actions.
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