metal-organic compounds
Open access
In the title compound, [Ni(C21H24N2O2)]·H2O, both the complex molecule and the water molecule lie on a twofold rotation axis. The NiII ion is coordinated in a distorted square-planar geometry by the tetradentate ligand. The dihedral angle between the two symmetry-related benzene rings is 47.12 (8)°. In the crystal, pairs of symmetry-related O—HO hydrogen bonds form R22(6) ring motifs. In addition, there are weak intermolecular C—HO hydrogen bonds, and π–π stacking interactions with a centroid–centroid distance of 3.4760 (8) Å.
organic compounds
Open access
In the title compound, C19H18Cl4N2O2, a potential tetradentate Schiff base ligand, the dihedral angle between the two benzene rings is 48.01 (10)°. The configuration about the two C=N bonds is E and two intramolecular O—HN hydrogen bonds make S(6) ring motifs. In the crystal, molecules are linked along the b axis via intermolecular C—HCl interactions. The crystal structure is further stabilized by an intermolecular π–π interaction [centroid–centroid distance = 3.5744 (12) Å].
metal-organic compounds
Open access
{4,4′,6,6′-Tetrachloro-2,2′-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]}copper(II)
In the title Schiff base complex, [Cu(C19H16Cl4N2O2)], the geometry around the CuII atom is distorted square-planar defined by the N2O2 donor atoms of the coordinated ligand. The dihedral angle between the substituted benzene rings is 29.95 (16)°. In the crystal, molecules are linked along the b axis, forming individual dimers through C—HO interactions. The crystal structure is further stabilized by intermolecular π–π interactions [centroid–centroid distance = 3.6131 (17) Å].
metal-organic compounds
Open access
{4,4′,6,6′-Tetrachloro-2,2′-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]}nickel(II)
In the title compound, [Ni(C19H16Cl4N2O2)], the NiII ion is in a distorted square-planar environment coordinated by two N atoms and two O atoms of the tetradentate ligand. The dihedral angle between the benzene rings is 24.8 (2)°. In the crystal, molecules are linked into chains along the b axis by weak C—HO and C—HCl interactions. An intermolecular ClCl [3.4564 (19) Å] interaction is present which is shorter than the sum of the van der Waals radii of Cl atoms (3.50 Å).
organic compounds
Open access
The asymmetric unit of the title compound, C30H28N2O2, comprises half of a potential tetradentate Schiff base ligand; an inversion centre is situtated at the center of the butanediamine spacer. The central methylene segment of the diamine spacer is disordered over two positions with a refined site-occupancy ratio of 0.651 (7):0.349 (7). The phenyl ring and the hydroxy-substituted benzene ring are almost perpendicular to each other, with a dihedral angle of 87.90 (8) Å. Intramolecular O—HN hydrogen bonds make S(6) ring motifs.
organic compounds
Open access
In the title molecule, C19H18Br4N2O2, the dihedral angle between the benzene rings is 73.9 (2)°. Two intramolecular N—HO hydrogen bonds make S(6) ring motifs. In the crystal, molecules are linked via C—HO interactions, forming chains propagating along the a-axis directon. A short CBr [3.401 (5) Å] contact is present in the crystal structure, which is further stabilized by a π–π interaction [centroid–centroid distance = 3.739 (3) Å].
organic compounds
Open access
In the title molecule, C9H11N3O2S, an intramolecular O—HN hydrogen bond generates an S(6) ring motif. In the crystal, molecules are linked via pairs of N—HS interactions, forming inversion dimers with R22(8) ring motifs. These dimers are further linked via N—HS and N—HO hydrogen bonds, forming a two-dimensional network lying parallel to (100). The crystal structure is further stabilized by intermolecular π–π interactions [centroid–centroid distance = 3.7972 (9) Å].
organic compounds
Open access
The title compound, C10H13N3O2S, crystallizes with two independent molecules (A and B) in the asymmetric unit. In the crystal, the A and B molecules are linked via pairs of N—HO and O—HS hydrogen bonds, forming dimers with R22(14) and R22(6) ring motifs. These dimers are linked via a pair of N—HS hydrogen bonds with an R22(8) ring motif, forming chains propagating along the c-axis direction. The crystal was refined as an inversion twin with a final BASF ratio of 0.54 (11):0.46 (11).
metal-organic compounds
Open access
In the title compound, [Cu(C19H16Br4N2O2)], the CuII ion and the substituted C atom of the diamine fragment lie on a crystallographic twofold rotation axis. The geometry around the CuII ion is distorted square-planar, which is defined by the N2O2 donor atoms of the coordinated Schiff base ligand. The dihedral angle between the symmetry-related substituted benzene rings is 25.33 (14)°. The crystal structure is stabilized by an intermolecular π–π interaction [centroid–centroid distance = 3.8891 (18) Å].
organic compounds
Open access
The asymmetric unit of the title compound, C19H18I4N2O2, comprises a potentially tetradentate Schiff base ligand. The disordered H atoms on the N and O atoms were refined with site occupancies of 0.54 (8)/0.46 (8) and 0.59 (7)/0.41 (7), respectively. The dihedral angle between the benzene rings is 73.3 (3)°. Intramolecular O—HN and N—HO hydrogen bonds make S(6) ring motifs. Short II [3.8919 (7) Å] and ICg [Cg is a ring centroid; 3.911 (2) Å] contacts are present in the crystal structure. The crystal structure is further stabilized by intermolecular π–π interactions [centroid-to-centroid distance = 3.827 (3) Å].
metal-organic compounds
Open access
In the title compound, [Cu(C19H16I4N2O2)], the CuII atom and the substituted C atom of the diamine segment lie on a crystallographic twofold rotation axis. The geometry around the CuII atom is distorted square-planar, which is supported by the N2O2 donor atoms of the coordinated Schiff base. The dihedral angle between the symmetry-related substituted benzene rings is 29.40 (19)°. In the crystal, a short II [3.8766 (6) Å] contact is present and links neighbouring molecules into chains propagating along the a axis.
metal-organic compounds
Open access
The asymmetric unit of the title compound, [Ni(C19H16Br4N2O2)], comprises half of a Schiff base complex. The geometry around the NiII atom, located on a twofold rotation axis, is distorted square-planar, which is supported by the N2O2 donor atoms of the coordinated ligand. The dihedral angle between the substituted benzene rings is 23.19 (17)°. In the crystal, a short intermolecular BrBr [3.6475 (7) Å] interaction is present.
metal-organic compounds
Open access
The asymmetric unit of the title compound, [Ni(C19H16I4N2O2)], comprises half of a Schiff base complex. The NiII atom is located on a twofold rotation axis which also bisects the central C atom of the 2,2-dimethylpropane group of the ligand. The geometry around the NiII atom is distorted square-planar, with a dihedral angle of 21.7 (3)° between the symmetry-related N/Ni/O coordination planes. The dihedral angle between the symmetry-related benzene rings is 27.9 (3)°. In the crystal, short intermolecular II [3.8178 (9) and 3.9013 (10) Å] interactions are present.
metal-organic compounds
Open access
The asymmetric unit of the title compound, [Zn(C19H16Cl4N2O2)(H2O)], comprises two crystallographically independent molecules. The geometry around the ZnII atoms is distorted trigonal–bipyramidal, supported by the N2O2 donor atoms of the tetradentate Schiff base and a coordinating water molecule. The dihedral angles between the benzene rings in the two molecules are 34.10 (15) Å and 30.61 (15) Å. In the crystal, neighbouring independent molecules are linked by pairs of O—HO hydrogen bonds, forming dimers with R22(6) ring motifs, and by O—HCl hydrogen bonds. There are short ClCl [3.4728 (16), 3.4863 (16), and 3.388 (1) Å] contacts present, and molecules are also linked by C—HO and π–π [centroid–centroid distance = 3.671 (2) Å] interactions.
metal-organic compounds
Open access
In the title Schiff base complex, [Ni(C18H14Cl4N2O2)(C3H7NO)2], the geometry around the NiII atom is distorted octahedral. It is coordinated by the N2O2 donor atoms of the tetradentate Schiff base ligand and the O atoms of two dimethylformamide molecules, which are cis to one another. The benzene rings are almost normal to each other [dihedral angle = 88.60 (14)°]. The various intramolecular C—HO hydrogen bonds make S(5) and S(6) ring motifs. In the crystal, molecules are linked by pairs of weak C—HCl interactions, forming inversion dimers.
metal-organic compounds
Open access
The asymmetric unit of the title compound, [Cu2(C18H14Cl4N2O2)2]n, contains two independent CuII ions which are bridged by a pair of 4,4′,6,6′-tetrachloro-2,2′-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolate ligands, forming a dinuclear unit. One of the CuII ions is coordinated in a distorted square-planar environment and the other is coordinated in a distorted square-pyramidal environment. The long apical Cu—O bond of the square-pyramidal coordinated CuII ion is formed by a symmetry-related O atom, creating a one-dimensional polymer along [010]. In addition, short intermolecular ClCl distances [3.444 (2) Å] and weak π–π interactions [centroid–centroid distances = 3.736 (2)–3.875 (3) Å] are observed. The crystal studied was an inversion twin with a refined twin component ratio of 0.60 (1):0.40 (1).
metal-organic compounds
Open access
The asymmetric unit of the title coordination polymer consists of a dinuclear neutral complex molecule of formula [Cu2(C18H14Br4N2O2)2]n. One of the CuII ions is coordinated in a distorted square-planar geometry, whereas the other is coordinated in a distorted square-pyramidal geometry, the long apical Cu—O bond [2.885 (4) Å] of the square-pyramidal coordination being provided by a symmetry-related O atom creating a one-dimensional polymer along [010]. π–π stacking interactions [centroid–centroid distance = 3.783 (4) Å] and short interchain BrBr interactions [3.6142 (12)–3.6797 (12) Å] are observed.
organic compounds
Open access
In the title compound, C16H15NO4, a potential bidentate N,O-donor Schiff base ligand, the benzene rings are inclined to one another by 4.24 (12)°. The molecule has an E conformation about the C=N bond. An intramolecular O—HN hydrogen bond makes an S(6) ring motif. In the crystal, pairs of O—HO hydrogen bonds link the molecules, forming inversion dimers with R22(8) ring motifs. These dimers are further connected by C—HO interactions, forming a sheet in (104). There is also a C—Hπ interaction present involving neighbouring molecules.
organic compounds
Open access
In the title compound, C18H20N2O3, a potential bidentate N,O-donor Schiff base ligand, the benzene rings are inclined at an angle of 12.25 (19)°. The molecule has an E conformation about the C=N bond. One of the ethyl groups is disordered over two positions, with a refined site-occupancy ratio of 0.55 (1):0.45 (1). An intramolecular O—HN hydrogen bond makes an S(6) ring motif. In the crystal, pairs of O—HO hydrogen bonds link molecules, forming inversion dimers with R22(8) ring motifs.
organic compounds
Open access
In the title compound, C15H13NO4, the dihedral angle between the substituted benzene rings is 9.9 (8)°. Part of the molecule (the salicylaldimine segment) is disordered over two sets of sites, with a refined site-occupancy ratio of 0.550 (14):0.450 (14). Intramolecular O—HN hydrogen bonds form S(6) ring motifs. In the crystal, pairs of O—HO hydrogen bonds link molecules into centrosymmetric dimers with R22(8) ring motifs. The crystal packing also features C—Hπ interactions.
metal-organic compounds
Open access
The asymmetric unit of the title compound, [Ni(C17H12I4N2O2)], comprises half of a Schiff base complex. The NiII and central C atom of the propyl chain are located on a twofold rotation axis. The geometry around the NiII atom is square planar, supported by the N2O2 donor atoms of the coordinated ligand. In the crystal, there are no significant intermolecular interactions present. The crystal studied was a non-merohedral twin with a refined twin component ratio of 0.944 (1):0.056 (1).
metal-organic compounds
Open access
In the title Schiff base complex, [Cu(C19H18Cl2N2O2)], the CuII ion is coordinated in a distorted square-planar environment by two N atoms and two O atoms of the tetradentate ligand. The dihedral angle between the benzene rings is 36.86 (14)°. In the crystal, molecules are linked into inversion dimers by pairs of weak C—HO hydrogen bonds. In addition, π–π [centroid–centroid distance = 3.7279 (16) Å] and weak C—Hπ interactions are observed.
metal-organic compounds
Open access
The asymmetric unit of the title compound, [Cu(C21H24N2O2)]·H2O, comprises half of a Schiff base complex and half of a water molecule. The whole compound is generated by crystallographic twofold rotation symmetry. The geometry around the CuII atom, located on a twofold axis, is distorted square-planar, which is supported by the N2O2 donor atoms of the coordinating Schiff base ligand. The dihedral angle between the symmetry-related benzene rings is 47.5 (4)°. In the crystal, the water molecule that is hydrogen bonded to the coordinated O atoms links the molecules via O—HO interactions into chains parallel to [001]. The crystal structure is further stabilized by C—Hπ interactions, and by π–π interactions involving inversion-related chelate rings [centroid–centroid distance = 3.480 (4) Å].
metal-organic compounds
Open access
The asymmetric unit of the title compound, [Mo(C19H16Cl4N2O2)O2], comprises two independent molecules (A and B). The geometry around the MoVI atom is distorted octahedral in each complex molecule, supported by two oxide O atoms and the N2O2 donor atoms of the coordinating ligand. The dihedral angle between the benzene rings is 74.96 (11) Å for molecule A and 76.05 (11) Å for molecule B. In the crystal, the B molecules are linked by pairs of C—HCl hydrogen bonds, forming inversion dimers. The crystal structure is further stabilized by C—Hπ interactions. An interesting feature of the crystal structure is a ClCl contact [3.3748 (18) Å], which is shorter than the sum of the van der Waals radii of Cl atoms (3.50 Å).
metal-organic compounds
Open access
The asymmetric unit of the title compound, [Cu(C21H24N2O4)]·H2O, comprises half of a Schiff base complex and a water molecule. The CuII atom, water molecule and one C atom of the central propylene segment are located on a twofold rotation axis. The geometry around the CuII atom is distorted square-planar, supported by the N2O2 donor atoms of the coordinating ligand. The dihedral angle between the symmetry-related benzene rings is 42.56 (19)°. In the crystal, O—HO hydrogen bonds involving the water molecule make an R21(6) ring motif. Complex molecules are linked into a chain along the c axis via C—HO interactions.
metal-organic compounds
Open access
The asymmetric unit of the title compound, [Mo(C19H16Br4N2O2)O2], comprises two molecules. The coordination environments around the MoVI atoms are distorted octahedral, defined by two oxide ligands and an N2O2 donor set of the tetradentate Schiff base in each molecule. The dihedral angles between the benzene rings in the molecules are 76.2 (3) and 77.7 (3)°. An interesting feature of the crystal structure is the presence of BrBr contacts [3.4407 (11), 3.5430 (11) and 3.6492 (10) Å], which are shorter than the sum of the van der Waals radius of Br atoms (3.70 Å). The crystal structure is further stabilized by intermolcular C—HBr and C—Hπ interactions. The crystal under investigation was twinned by nonmerohedry in a 0.053 (1):0.947 (1) ratio.
organic compounds
Open access
The asymmetric unit of the title compound, C7H9N3O2, comprises two crystallographically independent molecules (A and B). In each molecule there is an intramolecular O—HO hydrogen bond making an S(6) ring motif. In the crystal, a pair of N—HN hydrogen bonds link the two molecules (A and B) into a dimer with an R22(6) ring motif. The B molecules are linked via pairs of N—HO hydrogen bonds, forming inversion dimers with an R22(10) ring motif. The molecules are further linked via other N—HO hydrogen bonds, forming undulating two-dimensional networks lying parallel to the bc plane. These networks are finally linked via N—HO hydrogen bonds, forming a three-dimensional structure.
organic compounds
Open access
In the title hydrazide Schiff base compound, C14H12ClN3O2, the conformation around the C=N double bond is E. The dihedral angle between the benzene rings is 41.57 (14) Å. An intramolecular O—HN hydrogen bond makes an S(6) ring motif. In the crystal, molecules are linked by N—HO (bifurcated acceptor) and N—HN hydrogen bonds, forming chains along the a axis. The interesting feature of the crystal structure is the short intermolecular CO [3.216 (3), 3.170 (3), and 2.992 (3) Å] contacts, one of which is significantly shorter than the sum of the van der Waals radii of these atoms [3.22 Å].
organic compounds
Open access
In t the title compound, C14H12BrN3O2. H2O, the conformation of the C=N double bond in the hydrazide Schiff base molecule is E. The dihedral angle between the benzene rings is 48.01 (11) °. An intramolecular O—HN hydrogen bond makes an S(6) ring motif. In the crystal, molecules are linked through N—HO (bifurcated acceptor) and O—HO hydrogen bonds, forming two-dimensional networks lying parallel to (100).
organic compounds
Open access
The asymmetric unit of the title compound, C15H15N3O2, comprises two crystallographically independent molecules (A and B), each having an E conformation around the C=N bond. In each molecule, there is an intramolecular O—HN hydrogen bond making an S(6) ring motif. The dihedral angles between the substituted phenyl rings are 17.49 (9) and 10.03 (9)°. In the crystal, N—HO hydrogen bonds link neighbouring independent molecules into infinite chains, of the type –A–B–A–B–, along the a axis, enclosing R21(7) ring motifs. The chains are linked by N—HO hydrogen bonds and C—HO interactions, leading to the formation of a three-dimensional network.
organic compounds
Open access
The asymmetric unit of the title compound, C16H12Cl4N2O2, comprises half of a potentially tetradentate Schiff base ligand, located about a twofold rotation axis which bisects the central C—C bond of the ethane-1,2-diamine group. In the solid state, the compound exists in the zwitterionic form. There are two intramolecular N—HO hydrogen bonds making S(6) ring motifs. In the crystal, molecules are linked by C—HO hydrogen bonds, forming two-dimensional frameworks which lie parallel to (100). There are also short ClCl [3.4395 (9) Å] contacts present.
organic compounds
Open access
The asymmetric unit of the title compound, C18H16Cl4N2O2, comprises half of a potentially tetradentate Schiff base ligand. It is located about a twofold rotation axis that bisects the central C—C bond of the butane-1,4-diamine group. There are two intramolecular O—HN hydrogen bonds making S(6) ring motifs. In the crystal, molecules are linked by pairs of weak C—HCl interactions, forming inversion dimers, which are further connected by C—HO hydrogen bonds into two-dimensional frameworks that lie parallel to (001).
organic compounds
Open access
The asymmetric unit of the title compound, C18H16Br4N2O2, comprises half the molecule, which is located adjacent to an inversion centre at the mid-point of the central C—C bond of the butane-1,4-diamine segment. There are two intramolecular O—HN hydrogen bonds making S(6) ring motifs. In the crystal, molecules are linked by pairs of weak C—HBr interactions into chains along [101], which include R22(8) ring motifs. These chains are further linked by C—HO hydrogen bonds, forming a three-dimensional network.
organic compounds
Open access
In the title compound, C15H15N3O3·H2O, the hydazide Schiff base molecule shows an E conformation around the C=N bond. An intramolecular O—HN hydrogen bond makes an S(6) ring motif. The dihedral angle between the substituted phenyl rings is 23.40 (11)°. The water molecule mediates linking of neighbouring molecules through O—H(O,O) hydrogen bonds into infinite chains along the a axis, which are further connected together through N—HO hydrogen bonds, forming a two-dimensional network parallel to (001). C—HO interactions aso occur.
organic compounds
Open access
The title compound, C17H14Cl4N2O2, is generated by crystallographic twofold symmetry. The two benzene rings are inclined to one another by 80.17 (10)°. There are two intramolecular O—HN hydrogen bonds, which make S(6) ring motifs. In the crystal, molecules are linked by C—HO and weak C—HCl interactions, forming a three-dimensional network.
organic compounds
Open access
The asymmetric unit of the title compound, C16H12Br4N2O2, comprises half of a potential tetradentate Schiff base ligand. The whole molecule is generated by an inversion center located in the middle of the C—C bond of the ethylene segment. There are intramolecular O—HN hydrogen bonds making S(6) ring motifs. In the crystal, no significant intermolecular interactions are observed.
organic compounds
Open access
In the title compound, C17H14I4N2O2, there are two intramolecular O—HN hydrogen bonds, which make S(6) ring motifs. In the crystal, there are no significant intermolecular interactions present.
organic compounds
Open access
In the title molecule, C15H13NO2S, an intramolecular O—HN hydrogen bond forms an S(6) ring motif. The benzothiazole ring system and the benzene ring form a dihedral angle of 8.9 (3) Å. In the crystal, molecules are linked by weak C—HO hydrogen bonds, forming chains along the b axis. In addition, π–π interactions [centroid–centroid distances = 3.772 (4) and 3.879 (4) Å] are observed.
organic compounds
Open access
The asymmetric unit of the title compound, C28H22Br2N2O2S2, comprises half of a Schiff base ligand, the whole molecule being generated by a crystallographic inversion center located at the mid-point of the C—C bond of the central methylene segment. Intramolecular O—HN and O—HS hydrogen bonds make S(6) and S(5) ring motifs, respectively. In the crystal, there are no significant intermolecular interactions.