107 research outputs found

    rac-{[2-(Diphenyl­thio­phosphor­yl)ferrocen­yl]meth­yl}dimethyl­ammonium diphenyl­dithio­phosphinate

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    2-(Diphenyl­thio­phosphino)dimethyl­amino­methyl­ferrocene is a key inter­mediate in the synthesis of various ferrocenyl ligands. During one such synthesis, the title compound, [Fe(C5H5)(C20H22NPS)](C12H10PS2), was isolated as a by-product. It is built up by association of (2-(diphenyl­phosphino)ferrocen­yl)meth­yl)dimethyl­ammonium cations and diphenyl­phosphino dithio­ate anions. N—H⋯S, C—H⋯S and C—H⋯π inter­actions link the anions and cations. Each anion–cation pair is linked two by two through C—H⋯π inter­actions, forming pseudo dimers

    Poly[tetraaqua-μ4-squarato-di-μ3-squarato-disam­arium(III)]

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    The structure of the title compound, [Sm2(C4O4)3(H2O)4]n, consists of infinite-chain structural units, built from edge-sharing samarium SmO7(H2O)2 polyhedra and linked via bis-monodendate squarate (sq1) groups. The chains extend along [100] in a zigzag mode and are interconnected by bis-chelating squarate (sq2) ligands into layers parallel to (101). Inter­layer hydrogen bonds strengthen the cohesion of the three-dimensional network. The samarium cation is coordinated by four O atoms from sq1 units and three O atoms from sq2 units, in addition to two water O atoms. The best representation of the samarium SmO7(H2O)2 polyhedron is distorted tricapped trigonal-prismatic. The sq1 ligand has one metal-free O atom and relates three Sm atoms in a bis-monodentate and chelation fashion, the second squarate, sq2, is strictly centrosymmetric and acts as a bis-chelating ligand

    2-(4-Chlorophenyl)-4-phenyl-1,2-dihydroquinazoline

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    Crystal structure of tetraaqua[2-(pyridin-2-yl)-1H-imidazole-kappa N-2(2),N-3]iron(II) sulfate

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    In the title compound, [Fe(C8H7N3)(H2O)(4)]SO4, the central Fe-II ion is octahedrally coordinated by two N atoms from the bidentate 2-(pyridin-2-yl)-1H-imidazole ligand and by four O atoms of the aqua ligands. The largest deviation from the ideal octahedral geometry is reflected by the small N-Fe-N bite angle of 76.0 (1)degrees. The Fe-N coordination bonds have markedly different lengths [2.1361 (17) and 2.243 (2) angstrom], with the shorter one to the pyrimidine N atom. The four Fe-O coordination bond lengths vary from 2.1191 (18) to 2.1340 (17) angstrom. In the crystal, the cations and anions are arranged by means of medium-strength O-H center dot center dot center dot O hydrogen bonds into layers parallel to the ab plane. Neighbouring layers further interconnect by N-H center dot center dot center dot O hydrogen bonds involving the imidazole fragment as donor group to one sulfate O atom as an acceptor. The resulting three-dimensional network is consolidated by C-H center dot center dot center dot O, C-H center dot center dot center dot pi and pi-pi interactions

    Bis{1-[( E

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    Bis(3-hy­droxy­methyl­anilinium) hexa­chloridostannate(IV)

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    In the title compound, (C7H10NO)2[SnCl6], the SnIV atom, located on an inversion center, exists in an octa­hedral coordination environment. The crystal structure exhibits alternating organic and inorganic layers parallel to (01). The cations and anions are linked via inter­molecular N—H⋯O, N—H⋯Cl and O—H⋯Cl hydrogen bonds. Additional stabilization is provided by π–π stacking inter­actions between the benzene rings of the cations [centroid–centroid distances = 3.6962 (15) and 3.9340 (15) Å]

    4-(Carboxy­meth­yl)anilinium chloride

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    In the crystal of the title compound, C8H10NO2 +·Cl−, alternating layers of hydro­phobic and hydro­philic zones stack along the c axis. The chloride anions are sandwiched between the 4-(carboxy­meth­yl)anilinium layers, forming inter­molecular O—H⋯Cl and N—H⋯Cl hydrogen bonds with the ammonium and carboxyl groups of the cations. In addition, inter­molecular N—H⋯O and weak C—H⋯O and C—H⋯Cl hydrogen bonds help stabilize the crystal structure

    Synthesis of Two Novel Copper (II) Complexes as Potential Inhibitors of HIV-1 Protease Enzyme: Experimental and Theoretical Investigations

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    In this study, we report the synthesis of two new copper complexes: [Cu(C11_{11}H7_{7}O2_{2})(SCN)(C10_{10}H8_{8}N2_{2})], denoted as (C-1), and [Cu(C11_{11}H7_{7}O2_{2}) (C12_{12}H8_{8}N2_{2}) Cl]·H2_{2}O, denoted as (C-2). They are based on 2,2′-bipyridine or 1,10-phenanthroline and 2-hydroxy-1-naphtaldehyde ligands. The obtained complexes were characterized by FT-IR, UV-visible spectroscopy, and single-crystal X-ray diffraction analysis. Molecular docking was employed to predict the binding mode involved in the interaction between the two synthetic copper (II) complexes and HIV-1 protease enzyme. The X-ray structural analysis revealed that the crystal structures of both complexes are mainly stabilized by several intra- and intermolecular hydrogen bonds. The fingerprint plots associated with the Hirshfeld surfaces of both complexes clearly show that H···H interactions provide the largest contributions. According to the docking results, the synthesized complexes exhibit promising features which enable them to be bound to the HIV-protease enzyme

    Crystal structure of N

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