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The asymmetric unit of the title compound, [Cu(C7H4FO2)2(C6H6N2O)2(H2O)]·0.5C6H6N2O·3H2O, contains two aquabis(4-fluorobenzoato)bis(nicotinamide)copper(II) molecules, one nicotinamide solvent molecule and six water molecules. The CuII ion is coordinated by two O atoms from two 4-fluorobenzoate ligands, two N atoms from two nicotinamide ligands and one water O atom in a distorted square-pyramidal geometry. In the crystal, O—H
O, O—HN and N—HO hydrogen bonds consolidate the crystal packing, which also exhibits π–π interactions between the aromatic rings [centroid–centroid distances 3.692 (2)–3.794 (2) Å].
O, O—HN and N—HO hydrogen bonds consolidate the crystal packing, which also exhibits π–π interactions between the aromatic rings [centroid–centroid distances 3.692 (2)–3.794 (2) Å].organic compoundsOpen access
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In the title compound, C12H11N3O2, the benzotriazole ring system is approximately planar [maximum deviation = 0.008 (1) Å] and its mean plane is oriented at a dihedral angle of 24.05 (4)° with respect to the furan ring. In the crystal, O—HN hydrogen bonds link the molecules into chains along the ac diagonal. π–π stacking between the furan rings, between the triazole and benzene rings, and between the benzene rings [centroid–centroid distances = 3.724 (1), 3.786 (1) and 3.8623 (9) Å] are also observed.
N hydrogen bonds link the molecules into chains along the ac diagonal. π–π stacking between the furan rings, between the triazole and benzene rings, and between the benzene rings [centroid–centroid distances = 3.724 (1), 3.786 (1) and 3.8623 (9) Å] are also observed.organic compoundsOpen access
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In the title compound, C19H15Cl2N3O2, the benzotriazole ring system is approximately planar [maximum deviation = 0.018 (2) Å] and its mean plane is oriented at dihedral angles of 30.70 (5) and 87.38 (4)°, respectively, to the furan and benzene rings while the dihedral angle between furan and benzene rings is 74.46 (6)°. In the crystal, weak C—HN hydrogen bonds link the molecules into chains along the b axis. π–π stacking interactions between the parallel dichlorobenzene rings of adjacent molecules [centroid–centroid distance = 3.6847 (9) Å] and weak C—Hπ interactions are also observed.
N hydrogen bonds link the molecules into chains along the b axis. π–π stacking interactions between the parallel dichlorobenzene rings of adjacent molecules [centroid–centroid distance = 3.6847 (9) Å] and weak C—Hπ interactions are also observed.organic compoundsOpen access
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In the title compound, C13H8N2O2, prepared from furfuryl alcohol and 4-nitrophthalonitrile in the presence of potassium carbonate in dimethylformamide, the furan and benzene rings are oriented at a dihedral angle of 53.45 (9)°. In the crystal, weak C—HO and C—HN hydrogen bonds link the molecules into a three-dimensional network.
O and C—HN hydrogen bonds link the molecules into a three-dimensional network.metal-organic compoundsOpen access
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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—HO, N—HO and C—HO 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.
O, N—HO and C—HO 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.metal-organic compoundsOpen access
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The asymmetric unit of the title compound, [Ni(C6H6N2O)2(H2O)4](C7H5O3)2·4H2O, contains one-half of the complex cation with the NiII ion located on an inversion center, a 3-hydroxybenzoate counter-anion and two uncoordinated water molecules. Four water O atoms in the equatorial plane around the NiII ion [Ni—O = 2.052 (2) and 2.079 (2) Å] form a slightly distorted square-planar arrangement, which is completed up to a distorted octahedron by the two N atoms [Ni—N = 2.075 (3) Å] from two isonicotinamide ligands. In the anion, the carboxylate group is twisted from the attached benzene ring by 8.8 (3)°. In the crystal, a three-dimensional hydrogen-bonding network, formed by classical O—HO and N—HO hydrogen bonds, consolidates the crystal packing, which also exhibits π–π interactions between the benzene and pyridine rings, with centroid–centroid distances of 3.455 (2) and 3.621 (2) Å, respectively.
O and N—HO hydrogen bonds, consolidates the crystal packing, which also exhibits π–π interactions between the benzene and pyridine rings, with centroid–centroid distances of 3.455 (2) and 3.621 (2) Å, respectively.metal-organic compoundsOpen access
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The asymmetric unit of the title compound, [Co(C6H6N2O)2(H2O)4](C7H5O3)2·4H2O, contains one-half of the complex cation with the CoII ion located on an inversion center, a 3-hydroxybenzoate counter-anion and two uncoordinated water molecules. Four water O atoms in the equatorial plane around the CoII ion [Co—O = 2.0593 (16) and 2.1118 (16) Å] form a slightly distorted square-planar arrangement, and the distorted octahedral geometry is completed by the two N atoms [Co—N = 2.1306 (18) Å] from two isonicotinamide ligands. In the anion, the carboxylate group is twisted from the attached benzene ring at 8.84 (17)°. In the crystal, a three-dimensional hydrogen-bonding network, formed by classical O—HO and N—HO hydrogen bonds, consolidates the crystal packing, which exhibits π–π interactions between the benzene and pyridine rings, with centroid–centroid distances of 3.458 (1) and 3.606 (1) Å, respectively.
O and N—HO hydrogen bonds, consolidates the crystal packing, which exhibits π–π interactions between the benzene and pyridine rings, with centroid–centroid distances of 3.458 (1) and 3.606 (1) Å, respectively.metal-organic compoundsOpen access
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In the crystal of the title polymeric compound, {[Pb(C7H5O3)2(C6H6N2O)]·H2O}n, the PbII ion is chelated by two carboxylate groups of 3-hydroxybenzoate (HB) anions, and coordinated by one isonicotinamide molecule; a carboxylate O atom and a hydroxy O atom from adjacent HB anions bridge the PbII ion to form polymeric chains along [100], in which the PbII ion is in an irregular seven-coordination geometry. The carboxylate groups of the HB ions are slightly twisted away from the attached benzene rings by 2.84 (15) and 4.8 (2)°. The planes of the two benzene rings of the HB ions are oriented with respect to each other at a dihedral angle of 84.41 (8)°. In the crystal, adjacent polymeric chains interact via O—HO, N—HO and weak C—HO hydrogen bonds. The solvent water molecule links with the polymeric chains via O—HO hydrogen bonding. π–π stacking between the benzene and pyridine rings and between the benzene rings [centroid–centroid distances = 3.731 (2) and 3.353 (2) Å] are present in the crystal.
O, N—HO and weak C—HO hydrogen bonds. The solvent water molecule links with the polymeric chains via O—HO hydrogen bonding. π–π stacking between the benzene and pyridine rings and between the benzene rings [centroid–centroid distances = 3.731 (2) and 3.353 (2) Å] are present in the crystal.metal-organic compoundsOpen access
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In the centrosymmetric binuclear title complex, [Cu2(C7H4IO2)4(H2O)2], the two CuII ions [CuCu = 2.6009 (5) Å] are bridged by four 2-iodobenzoate (IB) ligands. The four nearest O atoms around each CuII ion form a distorted square-planar arrangement, the distorted square-pyramidal coordination being completed by the O atom of the water molecule at a distance of 2.1525 (16) Å. The dihedral angle between the benzene ring and the carboxylate group is 25.67 (13)° in one of the independent IB ligands and 6.44 (11)° in the other. The benzene rings of the two independent IB ligands are oriented at a dihedral angle of 86.61 (7)°. In the crystal, O—HO interactions link the molecules into a two-dimensional network. π–π contacts between the benzene rings [centroid–centroid distances = 3.810 (2) and 3.838 (2) Å] may further stabilize the structure.
Cu = 2.6009 (5) Å] are bridged by four 2-iodobenzoate (IB) ligands. The four nearest O atoms around each CuII ion form a distorted square-planar arrangement, the distorted square-pyramidal coordination being completed by the O atom of the water molecule at a distance of 2.1525 (16) Å. The dihedral angle between the benzene ring and the carboxylate group is 25.67 (13)° in one of the independent IB ligands and 6.44 (11)° in the other. The benzene rings of the two independent IB ligands are oriented at a dihedral angle of 86.61 (7)°. In the crystal, O—HO interactions link the molecules into a two-dimensional network. π–π contacts between the benzene rings [centroid–centroid distances = 3.810 (2) and 3.838 (2) Å] may further stabilize the structure.metal-organic compoundsOpen access
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In the title complex, [Co(C7H4IO2)2(C6H6N2O)2(H2O)2], the CoII cation is located on an inversion center and is coordinated by two monodentate 2-iodobenzoate (IB) anions, two nicotinamide (NA) ligands and two water molecules. The four O atoms in the equatorial plane around the CoII cation 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 22.3 (3)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 84.59 (13)°. Intramolecular O—HO hydrogen bonding occurs between the carboxylate group and coordinated water molecule. In the crystal, N—HO, O—HO and weak C—HO hydrogen bonds link the molecules into a three-dimensional supramolecular network.
O hydrogen bonding occurs between the carboxylate group and coordinated water molecule. In the crystal, N—HO, O—HO and weak C—HO hydrogen bonds link the molecules into a three-dimensional supramolecular network.organic compoundsOpen access
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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—HN interaction involving the OH group and the adjacent N atom. In the crystal, there are O—HN hydrogen bonds, and C—HO and N—HO 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—Hπ interaction is present in the crystal.
N interaction involving the OH group and the adjacent N atom. In the crystal, there are O—HN hydrogen bonds, and C—HO and N—HO 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—Hπ interaction is present in the crystal.metal-organic compoundsOpen access
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The asymmetric unit of the polymeric title compound, [Co(C7H4IO2)2(H2O)2]n, contains one CoII cation, two iodobenzoate anions and two water molecules. One iodobenzoate anion and one water molecule bridge adjacent Co cations, forming a polymeric chain running along the a axis, while the other iodobenzoate anion and water molecule coordinate in a monodentate manner to the CoII cation, completing the slightly distorted octahedral geometry. In the two independent anionic ligands, the carboxylate groups are twisted away from the attached benzene rings by 51.38 (18) and 39.89 (11)°, and the two benzene rings are nearly perpendicular to each other with a dihedral angle of 86.09 (10)°. Intramolecular O—HO hydrogen bonds between coordinating water molecules and adjacent carboxylate O atoms help to stabilize the molecular structure. In the crystal, weak C—HO hydrogen bonds link the polymeric chains into a three-dimentional supramolecular network.
O hydrogen bonds between coordinating water molecules and adjacent carboxylate O atoms help to stabilize the molecular structure. In the crystal, weak C—HO hydrogen bonds link the polymeric chains into a three-dimentional supramolecular network.organic compoundsOpen access
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In the title compound, C16H17NO5, the dihydropyridine ring adopts a sofa conformation. In the crystal, intermolecular N—HO hydrogen bonds link the molecules into chains running along the b axis.
O hydrogen bonds link the molecules into chains running along the b axis.organic compoundsOpen access
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In the title compound, C14H14BrNO4, the dihydropyridine ring adopts a screw-boat conformation. In the crystal, pairs of N—HO hydrogen bonds link the molecules into inversion R22(10) dimers.
O hydrogen bonds link the molecules into inversion R22(10) dimers.metal-organic compoundsOpen access
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In the title complex, [Ni(C8H5O3)2(C6H6N2O)2(H2O)2], the NiII cation is located on an inversion center and is coordinated by two 4-formylbenzoate (FB) anions, two nicotinamide (NA) ligands and two water molecules. The four O atoms in the equatorial plane around the NiII cation 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 23.67 (8)°, while the pyridine and benzene rings are oriented at an angle of 89.04 (4)°. The coordinating water molecule links with the carboxylate group via an O—HO hydrogen bond. In the crystal, N—HO, O—HO and weak C—HO hydrogen bonds link the molecules into a three-dimensional supramolecular network. π–π contacts between benzene rings [centroid–centroid distance = 3.8414 (7) Å] may further stabilize the structure. A weak C—Hπ interaction also occurs.
O hydrogen bond. In the crystal, N—HO, O—HO and weak C—HO hydrogen bonds link the molecules into a three-dimensional supramolecular network. π–π contacts between benzene rings [centroid–centroid distance = 3.8414 (7) Å] may further stabilize the structure. A weak C—Hπ interaction also occurs.metal-organic compoundsOpen access
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In the title complex, [Cu(C8H5O3)2(C6H6N2O)2(H2O)2], the CuII cation is located on an inversion center and is coordinated by two 4-formylbenzoate (FB) anions, two nicotinamide (NA) ligands and two water molecules in an elongated distorted octahedral geometry. The dihedral angle between the carboxylate group and the adjacent benzene ring is 23.00 (10)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 85.34 (4)°. An intramolecular O—HO hydrogen bond occurs between coordinating water molecule and the carboxylate group. In the crystal, N—HO, O—HO and weak C—HO hydrogen bonds link the molecules into a three-dimensional supramolecular network. A weak C—Hπ interaction also occurs in the crystal.
O hydrogen bond occurs between coordinating water molecule and the carboxylate group. In the crystal, N—HO, O—HO and weak C—HO hydrogen bonds link the molecules into a three-dimensional supramolecular network. A weak C—Hπ interaction also occurs in the crystal.metal-organic compoundsOpen access
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In the title complex, [Zn(C8H5O3)2(C10H14N2O)2(H2O)2], the ZnII cation is located on an inversion center and is coordinated by two 4-formylbenzoate anions, two N,N-diethylnicotinamide (DENA) ligands and two water molecules. The four O atoms in the equatorial plane around the ZnII cation 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 carboxylate group and the adjacent benzene ring is 2.96 (11)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 79.26 (4)°. The coordinating water molecule links with the carboxylate group via an intramolecular O—HO hydrogen bond. In the crystal, O—HO and weak C—HO hydrogen bonds link the molecules into a three-dimensional supramolecular network. A π–π contact between the parallel pyridine rings of adjacent molecules may further stabilize the crystal structure [centroid–centroid distance = 3.5654 (8) Å].
O hydrogen bond. In the crystal, O—HO and weak C—HO hydrogen bonds link the molecules into a three-dimensional supramolecular network. A π–π contact between the parallel pyridine rings of adjacent molecules may further stabilize the crystal structure [centroid–centroid distance = 3.5654 (8) Å].metal-organic compoundsOpen access
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In the title complex, [Co(C8H5O3)2(C6H6N2O)2(H2O)2], the CoII cation is located on an inversion center and is coordinated by two 4-formylbenzoate (FB) anions, two nicotinamide (NA) ligands and two water molecules. The four O atoms in the equatorial plane around the CoII cation 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 23.91 (9)°, while the pyridine and benzene rings are oriented at a dihedral angle of 88.84 (4)°. The coordinating water molecule links with the carboxylate group via an intramolecular O—HO hydrogen bond. In the crystal, N—HO, O—HO and weak C—HO hydrogen bonds link the molecules into a three-dimensional supramolecular network. π–π stacking between the parallel benzene rings of adjacent molecules [centroid–centroid distance = 3.8505 (8) Å] may further stabilize the structure. A weak C—Hπ interaction also occurs in the crystal.
O hydrogen bond. In the crystal, N—HO, O—HO and weak C—HO hydrogen bonds link the molecules into a three-dimensional supramolecular network. π–π stacking between the parallel benzene rings of adjacent molecules [centroid–centroid distance = 3.8505 (8) Å] may further stabilize the structure. A weak C—Hπ interaction also occurs in the crystal.metal-organic compoundsOpen access
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In the title complex, [Zn(C8H5O3)2(C6H6N2O)2(H2O)2], the ZnII cation is located on an inversion center and is coordinated by two 4-formylbenzoate (FB) anions, two nicotinamide (NA) ligands and two water molecules. The four O atoms in the equatorial plane around the ZnII cation 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 24.13 (8)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 88.52 (4)°. The coordinating water molecule links with the carboxylate group via an O—HO hydrogen bond. In the crystal, N—HO and O—HO hydrogen bonds, and a weak C—Hπ interaction link the molecules into a two-dimensional network parallel to (010). These networks are linked via C—HO and π–π interactions between inversion-related benzene rings [centroid–centroid distance = 3.8483 (7) Å], forming a three-dimensional supramolecular structure.
O hydrogen bond. In the crystal, N—HO and O—HO hydrogen bonds, and a weak C—Hπ interaction link the molecules into a two-dimensional network parallel to (010). These networks are linked via C—HO and π–π interactions between inversion-related benzene rings [centroid–centroid distance = 3.8483 (7) Å], forming a three-dimensional supramolecular structure.metal-organic compoundsOpen access
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In the title complex, [Cu(C7H4IO2)2(C6H6N2O)2(H2O)2], the CuII cation is located on an inversion center and is coordinated by two monodentate 2-iodobenzoate (IB) anions, two nicotinamide (NA) ligands and two water molecules in a distorted octahedral coordination geometry. The dihedral angle between the carboxylate group and the adjacent benzene ring is 32.12 (14)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 82.02 (5)°. The coordinating water molecule links with the carboxylate group via an intramolecular O—HO hydrogen bond. In the crystal, N—HO, O—HO and weak C—HO hydrogen bonds link the molecules into a three-dimensional supramolecular network.
O hydrogen bond. In the crystal, N—HO, O—HO and weak C—HO hydrogen bonds link the molecules into a three-dimensional supramolecular network.metal-organic compoundsOpen access
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In the title polymeric compound, [Pb(C12H6N2O4)]n, the PbII cation, located on a mirror plane, is N,N′-chelated by a 2-2′-bipyridine-5,5′-dicarboxylate (bpdc) anion and is further coordinated by six O atoms from four carboxyl groups of bpdc anions in an irregular N2O6 geometry. The carboxylate groups bridge the PbII cations, forming a three-dimensional polymeric structure. The carboxylate group is twisted away from the attached pyridine ring by 11.4 (3)°.
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In the dinuclear centrosymmetric title compound, [Cd2(C8H7O2)4(C6H6N2O)2(H2O)2], the CdII ion is chelated by two carboxylate groups from 4-methylbenzoate anions, and is further coordinated by one nicotinamide and one water molecule; a carboxylate O atom from an adjacent 4-methylbenzoate anion bridges to the CdII ion, completing the irregular coordination sphere of the seven ligand atoms. In the crystal, intermolecular O—HO, N—HO and weak C—HO hydrogen bonds link the molecules into a three-dimensional network. The methylbenzene moiety of one bridging 4-methylbenzoate anion is disordered over two orientations of equal occupancy.
O, N—HO and weak C—HO hydrogen bonds link the molecules into a three-dimensional network. The methylbenzene moiety of one bridging 4-methylbenzoate anion is disordered over two orientations of equal occupancy.
