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In the mol-ecule of the title compound, CHNO, the isoxazol and phenyl rings are oriented at a dihedral angle of 14.84 (5)°. The 2-cyano-acrylate moiety is in - configuration. In the crystal, there are no inter-molecular hydrogen-bonding or C-H⋯π(ring) inter-actions, only a π-π inter-action between the parallel isoxazol rings with centroid-to-centroid distance of 3.4932 (9) Å (α = 0.02°). The Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H⋯H (43.9%), H⋯N/N⋯H (17.0%), H⋯O/O⋯H (13.9%) and C⋯C (10.1%) inter-actions.
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http://dx.doi.org/10.1107/S2056989025006875 | DOI Listing |
Acta 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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September 2025
Laboratory of Matter Environmental and Solar Energy Sciences Research Team: Crystallography and Molecular Physics Félix Houphouët-Boigny University, Abidjan,Ivory Coast.
The structure of the title compound, CHClN, was determined at low temperature (100 K). In the crystal, the mol-ecules are connected through C-H⋯N and C-H⋯Cl inter-molecular hydrogen bonds generating a network that extend along the [010] direction. In addition, C-H⋯π and π-π stacking inter-actions as well as inter-molecular contacts contribute to the cohesion of the structure.
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