347 research outputs found
4-{4-[(E)-(2-Hydroxyphenyl)iminomethyl]phenoxy}benzene-1,2-dicarbonitrile
The asymmetric unit of the title compound, C21H13N3O2, contains two independent molecules with a similar structure. In one molecule, the central benzene ring is oriented with respect to the terminal benzene rings at 27.23 (7) and 67.96 (7)°; in the other molecule, the corresponding dihedral angles are 12.42 (7) and 64.55 (7)°. In both molecules, there is a short O—H⋯N interaction involving the OH group and the adjacent N atom. In the crystal, there are O—H⋯N hydrogen bonds, and C—H⋯O and N—H⋯O interactions linking the molecules to form a three-dimensional network. π–π stacking between the pyridine and benzene rings and between the benzene rings [centroid–centroid distances = 3.989 (2), 3.705 (2) and 3.607 (2) Å] may further stabilize the structure. A weak C—H⋯π interaction is present in the crystal
Diaquabis(4-methylaminobenzoato-κO)bis(nicotinamide-κN 1)nickel(II)
The title NiII complex, [Ni(C8H8NO2)2(C6H6N2O)2(H2O)2], is centrosymmetric with the Ni atom on an inversion center. The molecule contains two 4-methylaminobenzoate (MAB) and two nicotinamide (NA) ligands and two coordinated water molecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 2.09 (14)°, while the pyridine and benzene rings are oriented at a dihedral angle of 66.15 (4)°. In the crystal structure, intermolecular O—H⋯O and N—H⋯O hydrogen bonds link the molecules into a three-dimensional network
Diaquabis(N,N-diethylnicotinamide-κN 1)bis(4-formylbenzoato-κO 1)manganese(II)
The title compound, [Mn(C8H5O3)2(C10H14N2O)2(H2O)2], contains one MnII atom lying on an inversion centre, two 4-formylbenzoate and two diethylnicotinamide ligands and two coordinated water molecules. All ligands are monodentate. The four O atoms around the Mn atom form a slightly distorted equatorial plane, while the distorted octahedral coordination is completed by the two N atoms in the axial positions. An intramolecular O—H⋯O hydrogen bond occurs in the complex. In the crystal structure, O—H⋯O hydrogen bonds link the molecules through an R
2
2(16) ring motif, forming a one-dimensional chain along the a axis. The π–π contact between the pyridyl rings [centroid–centroid distance = 3.629 (2) Å] may further stabilize the structure
2-Ethyl-6,6-ethylenedisulfanediyl-7-methoxymethyl-1,2,3,4,5,6-hexahydro-1,5-methanoazocino[4,3-b]indol-3-one
The title compound, C20H24N2O2S2, consists of a tetracyclic ring system containing an azocino skeleton with ethyl, dithiolane and methoxymethyl groups as substituents. The benzene and five-membered rings are nearly coplanar, with a dihedral angle of 2.78 (11)°. The dithiolane ring adopts an envelope conformation. In the crystal structure, intermolecular C—H⋯O hydrogen bonds link the molecules into chains nearly parallel to the c axis. Two C—H⋯π interactions are also present
Diaquabis(2-bromobenzoato-κO)bis(N,N-diethylnicotinamide-κN 1)zinc(II)
In the centrosymmetric title complex, [Zn(C7H4BrO2)2(C10H14N2O)2(H2O)2], the ZnII atom is located on an inversion center. The asymmetric unit contains one 2-bromobenzoate (BB), one diethylnicotinamide (DENA) ligand and one coordinating water molecule. The four O atoms in the equatorial plane around the Zn atom form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxyl group and the adjacent benzene ring is 85.51 (12)°, while the pyridine and benzene rings are oriented at a dihedral angle of 44.07 (6)°. In the crystal structure, O—H⋯O hydrogen bonds link the molecules into infinite chains
Bis(μ-4-methylbenzoato-κ2 O:O′)bis[aqua(4-methylbenzoato-κ2 O,O′)zinc(II)]–bis(μ-4-methylbenzoato-κ2 O:O′)bis[(4-methylbenzoato-κO)(nicotinamide-κN)zinc(II)]–water (1/1/2)
The crystal structure of the title compound, [Zn2(C8H7O2)4(H2O)2]·[Zn2(C8H7O2)4(C6H6N2O)2]·2H2O, consists of two kinds of dinuclear ZnII complexes (complex A and complex B) and uncoordinated water molecules. In complex A, [Zn2(C8H7O2)4(H2O)2], each Zn cation is chelated by a 4-methylbenzoate (PMB) anion and coordinated by a water molecule, and is further bridged by two PMB anions in a trigonal-bipyramidal geometry. In complex B, [Zn2(C8H7O2)4(C6H6N2O)2], each ZnII cation is coordinated by a monodentate PMB anion and one nicotinamide (NA) ligand, and is further bridged by two PMB anions in a tetrahedral geometry. Weak intra-molecular π–π stacking between adjacent benzene rings is observed in complex B, the centroid–centroid distance being 3.710 (2) Å. Extensive O—H⋯O and N—H⋯O hydrogen bonding and weak C—H⋯O hydrogen bonding is present in the crystal structure. The crystal studied was a racemic twin; the minor twin component refined to 38%
9-Benzyl-9H-carbazole
The asymmetric unit of the title compound, C19H15N, contains two crystallographically independent molecules. In both molecules, the planar carbazole moieties [maximum deviations = 0.037 (4) and 0.042 (3) Å] are oriented with respect to the adjacent benzene rings, at dihedral angles of 85.29 (8) and 89.89 (7)°, respectively. In the crystal structure, weak C—H⋯π interactions are observed involving the carbazole rings
Bis(isonicotinamide-κN 1)bis(4-methylbenzoato-κO)copper(II) dihydrate
In the centrosymmetric title compound, [Cu(C8H7O2)2(C6H6N2O)2]·2H2O, the CuII ion is located on a crystallographic inversion center. The asymmetric unit is completed by one 4-methylbenzoate anion, one isonicotinamide (INA) ligand and one uncoordinated water molecule; all the ligands are monodentate. The two O and the two N atoms around the CuII ion form a slightly distorted square-planar arrangement. The dihedral angle between the carboxylate group and the attached benzene ring is 13.86 (9)°, while the pyridine and benzene rings are oriented at a dihedral angle of 86.08 (5)°. The uncoordinated water molecules are linked to the INA ligands by O—H⋯O hydrogen bonds. In the crystal structure, intermolecular O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds link the molecules into a three-dimensional network
Bis(μ-3-hydroxybenzoato)-κ3 O 1,O 1′:O 1;κ3 O 1:O 1,O 1′-bis[(3-hydroxybenzoato-κ2 O,O′)(isonicotinamide-κN 1)cadmium] tetrahydrate
In the title centrosymmetric binuclear CdII compound, [Cd2(C7H5O3)4(C6H6N2O)2]·4H2O, the six-coordinated CdII atom is chelated by the carboxylate groups of the two 3-hydroxybenzoate (HB) anions; the two monomeric units are bridged through the two O atoms of the two carboxylate groups. In the crystal, O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds link the molecules into a three-dimensional network. π–π Contacts between the pyridine rings and between the benzene rings [centroid-centroid distances = 3.770 (1), 3.769 (1) and 3.632 (1) Å] may further stabilize the structure
Diaquabis(4-methylaminobenzoato-κO)bis(nicotinamide-κN 1)cobalt(II)
The asymmetric unit of the title CoII complex, [Co(C8H8NO2)2(C6H6N2O)2(H2O)2], contains two half complex molecules with similar structures. The CoII atoms are each located on an inversion center and each is coordinated by two 4-methylaminobenzoate (PMAB), two nicotinamide (NA) ligands and two water molecules in a distorted octahedral coordination. The dihedral angles between the carboxylate groups and the adjacent benzene rings are 3.0 (3) and 2.54 (19)°, while the pyridine and benzene rings are oriented at dihedral angles of 67.40 (8) and 66.25 (8)°. In the crystal structure, intermolecular O—H⋯O and N—H⋯O hydrogen bonds link the molecules into a supramolecular structure
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