58 research outputs found
1-Chloro-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalene-2-carbaldehyde
The title compound, C17H11Cl3O, was synthesized via the Vilsmeier–Haack reaction. The dihydronaphthalene ring system is non-planar, the dihedral angle between the two fused rings being 10.87 (13)°; it forms a dihedral angle of 81.45 (10)° with the dichlorophenyl ring. The crystal structure features intermolecular C—H⋯O hydrogen bonds
1-{4-Chloro-2-[2-(2-fluorophenyl)-1,3-dithiolan-2-yl]phenyl}-2-methyl-1H-imidazole-5-carbaldehyde
There are two molecules in the asymmetric unit of the title imidazole derivative, C20H16ClFN2OS2. In one molecule, the dithiolane ring is disordered over two positions in a 0.849 (9):0.151 (10) ratio. The imidazole ring makes dihedral angles of 79.56 (9) and 18.45 (9)° with the 4-chlorophenyl and 2-fluorophenyl rings, respectively, in one molecule; in the other molecule, the corresponding angles are 82.72 (9) and 17.39 (10)°. In the crystal, molecules are linked by weak C—H⋯O interactions and these linked molecules are stacked along the b axis by π–π interactions with a centroid–centroid distance of 3.4922 (11) Å. In addition, π–π interactions between the imidazole and 2-fluorophenyl rings are also observed, with centroid–centroid distances of 3.4867 (11) and 3.4326 (10) Å. The crystal is further consolidated by weak C—H⋯π interactions. Cl⋯S [3.5185 (8) Å], C⋯O [3.192 (3) Å] and C⋯C [3.326 (2)–3.393 (3) Å] short contacts are also observed
3-{1-[4-(2-Methylpropyl)phenyl]ethyl}-4-phenyl-1H-1,2,4-triazole-5(4H)-thione
In the title compound, C20H23N3S, the central 1,2,4-triazole ring makes dihedral angles of 69.76 (9) and 81.69 (8)°, respectively, with the phenyl and benzene rings. In the crystal, molecules are linked into a centrosymmetric dimer by a pair of intermolecular N—H⋯S hydrogen bonds, generating an R
2
2(8) ring motif
Benzyl N-{2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl}carbamate
In the title 1,2,4-oxadiazole derivative, C19H18ClN3O3, the 1,2,4-oxadiazole ring makes dihedral angles of 12.83 (8) and 4.89 (8)°, respectively, with the benzyl and 4-chlorophenyl rings, while the dihedral angle between the benzyl and 4-chlorophenyl rings is 11.53 (7)°. In the crystal, molecules are linked by N—H⋯N hydrogen bonds into helical chains along the b axis. A weak C—H⋯π interaction is also present
(5E)-5-(4-Methoxybenzylidene)-2-(piperidin-1-yl)-1,3-thiazol-4(5H)-one
In the title compound, C16H18N2O2S, the piperidine ring adopts a chair conformation. The central 4-thiazolidinone ring makes dihedral angles of 12.01 (7) and 51.42 (9)°, respectively, with the benzene ring and the least-squares plane of the piperidine ring. An intramolecular C—H⋯S hydrogen bond stabilizes the molecular structure and generates an S(6) ring motif. In the crystal, molecules are linked into a tape along the c axis by intermolecular C—H⋯O hydrogen bonds
N′-(4-Fluorobenzylidene)-2-(4-fluorophenyl)acetohydrazide
In the title compound, C15H12F2N2O, the dihedral angle between the two benzene rings is 48.73 (8)°. The hydrazine group is twisted slightly, with a C—N—N—C torsion angle of 172.48 (12)°. In the crystal, molecules are connected by strong N—H⋯O and weak C—H⋯O hydrogen bonds, forming supramolecular chains along the c axis. The structure is consolidated by π–π [centroid–centroid separation = 3.6579 (10) Å] and C—H⋯π interactions
N′-(4-Chlorobenzylidene)-2-[4-(methylsulfanyl)phenyl]acetohydrazide
In the title compound, C16H15ClN2OS, the hydrazine group is twisted slightly: the C—N—N—C torsion angle is 175.46 (13)°. The dihedral angle between the two terminal aromatic rings is 87.01 (8)°. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R
2
2(8) loops. The dimers are further linked by weak C—H⋯π interactions
(5E)-5-(2,4-Dichlorobenzylidene)-2-(piperidin-1-yl)-1,3-thiazol-4(5H)-one
In the title compound, C15H14Cl2N2OS, the piperidine ring adopts a chair conformation. The dihedral angle between the thiazolidine ring and the dichlorobenzene ring is 9.30 (4)°; this near coplanar conformation is stabilized by the formation of an intramolecular C—H⋯S hydrogen bond, which generates an S(6) ring. In the crystal, molecules are linked by C—H⋯O hydrogen bonds, forming [001] chains. Weak π–π interactions [centroid–centroid separation = 3.5460 (5) Å] consolidate the structure
N-[2-(1H-Indol-3-yl)-1-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulfonamide
N-[1-Hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methylbenzenesulfonamide (1) on cyclization with carbon disulfide in ethanolic potassium hydroxide affords N-[2-(1H-indol-3-yl)-1-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulfonamide (2) in 84% yield. The structure of compound 2 was supported by mass spectrometry, FT-IR and 1H- and 13C-NMR spectroscopy. To investigate the potential of compound 2 to act as antitubercular agent, it was docked against the enoyl reductase (InhA) enzyme of Mycobacterium tuberculosis. The docking pose and non-covalent interactions gave insights on its plausible inhibitory action
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