78 research outputs found
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
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
2-(4-Isobutylphenyl)-N′-[1-(4-nitrophenyl)ethylidene]propanohydrazide
The molecule of the title compound, C21H25N3O3, exists in a trans configuration with respect to the ethylidene unit. The dihedral angle between the two substituted benzene rings is 86.99 (7)°. The nitro group is twisted from the attached benzene ring at an angle of 17.02 (7)°. In the crystal structure, molecules are linked by pairs of N—H⋯O hydrogen bonds in a face-to-face manner into centrosymmetric dimers. These dimer units are further linked into chains along the c axis by weak C—H⋯O interactions. These chains are stacked along the b axis. The crystal is further stabilized by weak C—H⋯π interactions
N′-[(E)-1-Phenylethylidene]benzohydrazide
The title compound, C15H14N2O, crystallized with two independent molecules in the asymmetric unit. Both molecules are non-planar and have an E configuration with respect to the C=N bond. The dihedral angles between the two benzene rings are 11.1 (2)° in one molecule and 12.40 (19)° in the other. In the crystal structure, the molecules are linked by N—H⋯O hydrogen bonds and weak C—H⋯O interactions into infinite one-dimensional chains along [1 0 0]. The crystal structure is further stabilized by N—H⋯O hydrogen bonds, weak C—H⋯O and very weak C—H⋯π interactions
4-Amino-3-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-1,2,4-triazole-5(4H)-thione
In the title triazole compound, C14H20N4S, the dihedral angle between the triazole and benzene rings is 83.29 (11)°. The methine H atom and two methyl groups of the isobutyl group are disordered over two sites with occupancies of 0.684 (9) and 0.316 (9). In the crystal structure, N—H⋯S hydrogen bonds link the molecules into chains running along the b axis. These chains are cross-linked into a two-dimensional network parallel to the ab plane by C—H⋯S hydrogen bonds
(E)-4-(Benzyloxy)benzaldehyde thiosemicarbazone
In the title compound, C15H15N3OS, the thiosemicarbazone group adopts an E configuration with respect to the C=N bond. The benzaldehyde thiosemicarbazone fragment is almost planar [maximum deviation = 0.012 (1) Å], while the dihedral angle between the benzyloxy and phenyl rings is 72.48 (5)°. In the crystal structure, molecules are interconnected by N—H⋯N and N—H⋯S hydrogen bonds, forming a two-dimensional network parallel to the bc plane and are further stacked along the a axis by π–π interactions [centroid–centroid separation 3.9043 (7) Å]. The crystal structure is also stabilized by C—H⋯π interactions
Di-μ-methacrylato-κ4 O:O′-bis[aquabis(1,10-phenanthroline-κ2 N,N′)copper(II)] dinitrate dihydrate
The title complex, [Cu2(C4H5O2)2(C12H8N2)2(H2O)2](NO3)2·2H2O, contains a dimeric [Cu2(C4H5O2)2(C12H8N2)2(H2O)2]2+ dication with two five-coordinated CuII ions linked by two methacrylate ions in a syn–syn bridging arrangement. The dication possesses pseudo-twofold rotational symmetry. The pentacoordination of each CuII ion has a distorted square-pyramidal geometry, with two N donors from a phenanthroline ligand and two carboxylate O atoms occupying basal sites and the apical position being occupied by a water molecule. In the crystal packing, molecules are linked to form a three-dimensional framework by O—H⋯O and C—H⋯O hydrogen bonds and π–π interactions [centroid–centroid distances of 3.6039 (15), 3.5301 (15), 3.6015 (15), 3.6496 (15) and 3.6858 (15) Å]
Benzyl 3-[(E,E)-3-phenylprop-2-enylidene]dithiocarbazate
The title compound, C17H16N2S2, a dithiocarbazate derivative, adopts an EE configuration with respect to the C=C and C=N double bonds of the propenylidine group. The 3-phenylprop-2-enylidene and dithiocarbazate fragments lie essentially in the same plane, with a maximum deviation from that plane of 0.074 (2) Å, while the dihedral angle between the 3-phenylprop-2-enylidene and the benzyl group is 77.78 (7)°. In the crystal structure, molecules are linked by an N—H⋯S hydrogen bond and a weak C—H⋯S interaction involving the terminal thione S atom, forming dimers that are arranged into sheets parallel to the bc plane. The crystal structure is also stabilized by C—H⋯π interactions
4-[(E)-2,6-Dichlorobenzylideneamino]-3-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-1,2,4-triazole-5(4H)-thione
In the title Schiff base compound, C21H22Cl2N4S, the triazole ring makes dihedral angles of 2.15 (11) and 87.48 (11)° with the 2,6-dichlorophenyl and methylpropylphenyl rings, respectively. Weak intramolecular C—H⋯S and C—H⋯Cl interactions generate S(6) and S(5) ring motifs, respectively. In the crystal structure, centrosymmetrically related molecules are linked into dimers by N—H⋯S hydrogen bonds. These dimers are arranged into sheets parallel to the ab plane and are stacked along the c axis. C—H⋯π interactions involving the methylpropylphenyl ring and π–π interactions involving the dichlorophenyl ring [centroid–centroid distance = 3.5865 (3) Å] are also observed
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