Co-crystal of nadifloxacin with oxalic acid
The 2:1 co-crystal of nadifloxacin [systematic name: 9-fluoro-8-(4-hydroxypiperidin-1-yl)-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid] with oxalic acid, C19H21FN2O4 · 0.5C2H2O4, was prepared by slow evaporation from a chloroform:acetone solvent system. Nadifloxacin belongs to the group of antibacterial drugs. The co-crystal is stabilized through an intramolecular O — H...O bond and intermolecular hydrogen bonds. It was studied by FT – IR spectroscopy, differential scanning calorimetry and X-ray diffraction. Hirshfeld surface analysis indicated that the major contribution to the packing...
Source: Acta Crystallographica Section E - March 10, 2023 Category: Chemistry Authors: Karthammaiah, G.N. Rao Amaraneni, S. Solomon, A.K. Tags: crystal structure slow evaporation hydrogen bonding Hirshfeld surface analysis antibacterial drug research communications Source Type: research
Syntheses, crystal structures and Hirshfeld surface analyses of N-arylsulfonyl derivatives of cytisine
By arylsulfonylation of cytisine in the presence of triethylamine, three new compounds have been obtained in good yields: (7R,9R)-N-[(4-ethylphenyl)sulfonyl]cytisine, C19H22N2O3S (I) {systematic name: (1R,5R)-3-[(4-ethylphenyl)sulfonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one}, (7R,9R)-N-[(4-chlorophenyl)sulfonyl]cytisine, C17H17ClN2O3S (II) {systematic name: (1R,5R)-3-[(4-chlorophenyl)sulfonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one} and (7R,9R)-N-[(3-nitrophenyl)sulfonyl]cytisine, C17H17N3O5S (III) {systematic name: (1R,5R)-3-[(3-nitrophenyl)sulfonyl]-1,2,3,4,5,6...
Source: Acta Crystallographica Section E - March 10, 2023 Category: Chemistry Authors: Okmanov, R.Y. Olimova, M.I. Karabaeva, S.B. Sapaev, F.A. Abdireymov, K.B. Tags: alkaloid cytisine arylsulfonylation synthesis crystal structure Hirshfeld surface analysis research communications Source Type: research
Syntheses, crystal structures and thermal properties of catena-poly[cadmium(II)-di- μ -bromido- μ -pyridazine- κ 2N1:N2] and catena-poly[cadmium(II)-di- μ -iodido- μ -pyridazine- κ 2N1:N2]
The reactions of cadmium bromide and cadmium iodide with pyridazine (C4H4N2) in ethanol under solvothermal conditions led to the formation of crystals of [CdBr2(pyridazine)]n (1) and [CdI2(pyridazine)]n (2), which were characterized by single-crystal X-ray diffraction. The asymmetric units of both compounds consist of a cadmium cation located on the intersection point of a twofold screw axis and a mirror plane (2/m), a halide anion that is located on a mirror plane and a pyridazine ligand, with all atoms occupying Wyckoff position 4e (mm2). These compounds are isotypic and consist of cadmium cations that are octahedrally c...
Source: Acta Crystallographica Section E - March 10, 2023 Category: Chemistry Authors: N ä ther, C. Jess, I. Tags: synthesis crystal structure cadmium halide coordination polymer chain compound thermal properties research communications Source Type: research
Crystal structure, Hirshfeld surface analysis and DFT study of (5E,5 ′ E,6Z,6 ′ Z)-6,6 ′ -[ethane-1,2-diylbis(azanylylidene)]bis{5-[2-(4-fluorophenyl)hydrazono]-3,3-dimethylcyclohexanone} 2.5-hydrate
The title compound, C30H34F2N6O2 · 2.5H2O, was obtained by condensation of 2-[2-(4-fluorophenyl)hydrazono]-5,5-dimethylcyclohexan-1,3-dione with ethylenediamine in ethanol and crystallized as a 1:2.5 hydrate in space group C2/c. The two independent molecules, with approximate crystallographic C2 symmetries, have different conformations and packing environments, are stabilized by intramolecular N — H...N hydrogen bonds and linked by O — H...O hydrogen bonds involving the water molecules. A Hirshfeld surface analysis showed that H...H contacts make by far the largest (48 – 50%) contribution to the crystal packing. Fro...
Source: Acta Crystallographica Section E - March 10, 2023 Category: Chemistry Authors: Kurbanova, M.M. Faizi, M.S.H. Cinar, E.B. Jamal, A. Ç emberci, M. Sadigova, A. Askerov, R. Dege, N. Nabi, T. Tags: crystal structure condensation crystal packing density functional theory Hirshfeld surface analysis hydrogen bonding research communications Source Type: research
Crystal structure and Hirshfeld surface analysis of (22RS,23SR,25RS,26SR)-23,25,5-trimethyl-21-(2,2,2-trifluoroacetyl)-5-aza-2(2,6)-piperidina-1,3(2,5)-difuranacyclohexaphan-24-one
The title compound, C20H21F3N2O4, features a main twelve-membered difuryl ring with which the furan rings make dihedral angles of 76.14 (5) and 33.81 (5) ° . The dihedral angle between the furan rings is 42.55 (7) ° . The six-membered nitrogen heterocycle has a twist-boat conformation. In the crystal, pairs of molecules are connected by intermolecular C — H...O interactions, generating an R22(14) ring motif. These pairs of molecules form zigzag chains along the a-axis direction by means of C — H...F interactions. Furthermore, C — H... π and C – F... π interactions link the molecules into chains alon...
Source: Acta Crystallographica Section E - March 10, 2023 Category: Chemistry Authors: Y ı ld ı r ı m, S. Ö . Akkurt, M. Ershova, A.A. Grigoriev, M.S. Rocha, B.G.M. Bhattarai, A. Tags: crystal structure twelve-membered heterocycles furan alkylation piperidon Hirshfeld surface analysis Mannich reaction research communications Source Type: research
