83 research outputs found
2-(2-Bromophenyl)acetic acid
In the title molecule, C8H7BrO2, the carboxyl group is twisted by 76.2 (3)° from the benzene ring plane. In the crystal, molecules are linked into inversion dimers through pairs of O—H⋯O hydrogen bonds. The dimers are further linked into layers parallel to the bc plane by weak C—H⋯O hydrogen bonds
Bis(O-ethyl dithiocarbonato-κ2 S,S′)bis(pyridine-3-carbonitrile-κN 1)nickel(II)
The Ni2+ ion in the title complex, [Ni(C3H5OS2)2(C6H4N2)2], is in a strongly distorted octahedral coordination environment formed by an N2S4 donor set, with the Ni2+ ion located on a centre of inversion. In the crystal, weak C—H⋯S and C—H⋯N interactions are observed
2-(2-Chlorophenyl)acetic acid
In the title compound, C8H7ClO2, the carboxyl group forms a dihedral angle of 74.83 (9)° with the benzene ring plane. In the crystal, molecules are linked into inversion dimers by pairs of O—H⋯O hydrogen bonds. The dimers are linked into layers parallel to the bc plane by weak C—H⋯O interactions
Bis(μ-N-benzyl-N-furfuryldithiocarbamato)-1:2κ3 S,S′:S′;2:1κ3 S,S′:S′-bis[(N-benzyl-N-furfuryldithiocarbamato-κ2 S,S′)cadmium]
In the centrosymmetric title compound, [Cd2(C13H12NOS2)4], pairs of dithiocarbamate ligands exhibit different structural functions. Each of the terminal ligands is bidentately coordinated to one CdII atom and forms a planar four-membered CS2Cd chelate ring, whereas pairs of the tridentate bridging ligands link two neighbouring CdII atoms, forming extended eight-membered C2S4Cd2 tricyclic units whose geometry can be approximated by a chair conformation. The coordination polyhedron of the CdII atoms is a distorted square-pyramid. The five-membered furan ring and the benzene ring are disordered over two sets of sites with an occupancy ratio of 0.62 (8):0.38 (8)
1-[(6-Chloropyridin-3-yl)methyl]imidazolidin-2-one
In the title molecule, C9H10ClN3O, the dihedral angle between the pyridine ring and imidazoline ring mean plane [maximum deviation = 0.031–(3) Å] is 76.2 (1)°. In the crystal, N—H⋯O hydrogen bonds link pairs of molecules to form inversion dimers. In addition, weak C—H⋯N hydrogen bonds and π–π stacking interactions between pyridine rings [centroid–centroid distance = 3.977 (2) Å] are observed
Ethyl 2-{3-[(6-chloropyridin-3-yl)methyl]-2-(nitroimino)imidazolidin-1-yl}acetate
In the title compound, C13H16ClN5O4, the imidazole ring is in a slight envelope conformation. The dihedral angle between the pyridine ring and the four essentially planar atoms [maximum deviation 0.015 (2) Å] of the imidazole ring is 80.8 (1)°. In, the crystal, weak C—H⋯O and C—H⋯N hydrogen bonds are present. In addition, there are weak π–π stacking interactions between symmetry-related pyridine rings with a centroid–centroid distance of 3.807 (1) Å
Ethyl 3-[(6-chloropyridin-3-yl)methyl]-2-oxoimidazolidine-1-carboxylate
In the title compound, C12H14ClN3O3, the imidazole ring adopts a half-chair conformation. The dihedral angle between the pyridine and imidazole rings is 70.0 (1)°. In the crystal, the molecules are linked by C—H⋯O interactions, forming chains parallel to the c axis
(4-Butoxyphenyl)(1H-pyrrol-2-yl)methanone
The asymmetric unit of the title compound, C15H17NO2, contains two independent molecules in which the dihedral angles between the pyrrole and benzene rings are 42.43 (9) and 45.70 (9)°. In both molecules, the butoxy chains are disordered over two sets of sites, with occupancy ratios of 0.701 (7):0.299 (7) and 0.869 (4):0.131 (4). Each molecule forms a dimer with an inversion-related molecule, through a pair of N—H⋯O hydrogen bonds. Weak C—H⋯O interactions link these dimers in the crystal structure
1-[(6-Chloropyridin-3-yl)methyl]imidazolidin-2-iminium chloride
The title compound, C9H12ClN4
+·Cl−, is a natural metabolic product of imidacloprid [systematic name: (E)-1-(6-chloro-3-pyridylmethyl)-N-nitroimidazolidin-2-ylideneamine] and was obtained by the reduction of the latter using Fe in HCl. The dihedral angle between the pyridine and imidazole rings is 62.09 (12)°. The crystal structure is stabilized by N—H⋯Cl and C—H⋯Cl interactions involving the chloride anion. The pyridine N and the chloride atoms are not involved in intermolecular interactions
(7-Chloro-2-oxo-2H-chromen-4-yl)methyl piperidine-1-carbodithioate
In the title compound, C16H16ClNO2S2, the piperidine ring is in a chair conformation. In the coumarin ring system, the dihedral angle between the benzene and pyran rings is 3.5 (1)°. In the crystal, a weak C—H⋯O hydrogen bond links molecules into chains along [001]. In addition, π–π stacking interactions are present involving the benzene and pyran rings, with a centroid-to-centroid distance of 3.712 (2) Å. The crystal studied is a nonmerohedral twin with refined components 0.221 (1) and 0.779 (1)
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