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