20 research outputs found

    2-(4-Amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-ylmeth­yl)isoindoline-1,3-dione

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    The title compound, C11H9N5O2S, was synthesized from N-phthaloylglycine and thio­carbohydrazide by the fusion method. This is the first report of a triazole derivative of N-phthaloylglycine. The title compound exists in the thione form. The mol­ecule is non-planar, with a dihedral angle between the isoindoline ring system and the triazole ring system of 82.24 (5)°. The crystal structure is stabilized by inter­molecular hydrogen bonding linking the mol­ecules into a three-dimensional network

    N-(Benzothia­zol-2-yl)butyramide

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    The title compound, C11H12N2OS, was synthesized from 2-amino­benzothia­zole and butanoyl chloride in anhydrous acetone. In the crystal structure, mol­ecules are linked by N—H⋯N and C—H⋯O hydrogen bonds and by C—H⋯π inter­actions

    2-Propyl-4H-thia­zolo[3,2-a][1,3,5]triazine-4-thione

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    In the title compound, C8H9N3S2, the n-propyl chain is disordered over two orientations (site-occupancy ratio = 0.522:0.478) and is roughly perpendicular to the fused thia­zolotriazine system. The angle between the fused ring and the propyl chain is 83.6 (1)° [ 82.2 (1)° for the disordered chain]. The structure is stabilized by C—H⋯N hydrogen bonds

    Ethyl 4-(3-butyrylthio­ureido)benzoate

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    The title compound, C14H18N2O3S, crystallizes in the thio­amide form with an intra­molecular N—H⋯O hydrogen bond associated with the thio­urea unit. With the benzoic acid and the butyrylthio­ureido units, the mol­ecule consists of two planar building blocks connected by the common NH function adjacent to the aromatic ring. The inter­planar angle is 33.38 (3)°. Mol­ecules are connected in chains parallel to [110] by classical hydrogen bonds of the N—H⋯O type from the other NH group to the benzoate C=O of a neighboring mol­ecule

    Ethyl 4-(3-benzoyl­thio­ureido)benzoate

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    The title compound, C17H16N2O3S, crystallizes in the thio­amide form with an intra­molecular N—H⋯O hydrogen bond across the thio­urea system. Mol­ecules are connected in chains parallel to [10] by hydrogen bonds from the second thio­urea N—H group to the benzoate C=O function

    1-(4-Acetyl­phen­yl)-3-butyrylthio­urea

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    The title compound, C13H16N2O2S, crystallizes in the thio­amide form with an intra­molecular hydrogen bond of type N—H⋯Obutyr­yl. Mol­ecules are linked into chains parallel to [10] by a further hydrogen bond of type N—H⋯Oacet­yl. C—H⋯O and C—H⋯S hydrogen bonds are also present

    1-(1,3-Benzothia­zol-2-yl)-3-benzoyl­thio­urea

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    The title compound, C15H11N3OS2, was synthesized from benzoyl thio­cyanate and 2-amino­benzothia­zole in dry acetone. The thio­urea group is in the thio­amide form. The mol­ecules are stabilized by two inter­molecular C—H⋯S and C—H⋯O hydrogen bonds. Intra­molecular N—H⋯O hydrogen bonding results in a pseudo-S(6) planar ring with dihedral angles of 11.23 and 11.91° with the benzothiazole ring system and the phenyl ring, respectively

    Pharmaceutical organic salt: Disordered crystal structure of levofloxacin with γ-resorcylic acid

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    This study reports an organic salt prepared from an antibacterial drug, levofloxacin and antioxidant γ-resorcylic acid. A simple preparation method leads to a crystal with disordered structure. The idea is to prepare an organic salt comprising of pharmaceutically acceptable acidic and basic components. The salt is characterised by IR, solid state NMR, and single crystal XRD. Crystal data for C25H26N3O8F: triclinic, space group P-1 (no. 2), a = 7.0037(8) Å, b = 12.764(3) Å, c = 13.909(3) Å, α = 104.821(4)°, β = 92.039(4)°, γ = 95.334(4)°, V = 1194.6(4) Å3, Z = 2, T = 296(2) K, μ(MoKα) = 0.113 mm-1, Dcalc = 1.433 g/cm3, 16879 reflections measured (5.048° ≤ 2Θ ≤ 54.186°), 5139 unique (Rint = 0.0663, Rsigma = 0.0975) which were used in all calculations. The final R1 was 0.1121 (I>2σ(I)) and wR2 was 0.2505 (all data). SC-XRD analysis shows that the crystal packing is stabilized by strong H-bonding of type N-H···O and comparatively weak interactions of type C-H···O, C-H···π and off-set π···π stacking

    N-(Thiazol-2-yl)acetamide

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    The title compound, C5H6N2OS, was synthesized from acetyl chloride and 2-aminothiazole in dry acetone. The asymmetric unit contains two molecules. The crystal structure is stabilized by N—H...N and C—H...O hydrogen bonds
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