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 Br⋯Br 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—H⋯Br and C—H⋯π interactions. The crystal under investigation was twinned by nonmerohedry in a 0.053 (1):0.947 (1) ratio.
doi:10.1107/S1600536812039785
PMCID: PMC3470169
PMID: 23125613
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—H⋯O hydrogen bonds involving the water molecule make an R
2
1(6) ring motif. Complex molecules are linked into a chain along the c axis via C—H⋯O interactions.
doi:10.1107/S1600536812038135
PMCID: PMC3470142
PMID: 23125586
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—H⋯Cl hydrogen bonds, forming inversion dimers. The crystal structure is further stabilized by C—H⋯π interactions. An interesting feature of the crystal structure is a Cl⋯Cl contact [3.3748 (18) Å], which is shorter than the sum of the van der Waals radii of Cl atoms (3.50 Å).
doi:10.1107/S160053681203807X
PMCID: PMC3470140
PMID: 23125584
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—H⋯O interactions into chains parallel to [001]. The crystal structure is further stabilized by C—H⋯π interactions, and by π–π interactions involving inversion-related chelate rings [centroid–centroid distance = 3.480 (4) Å].
doi:10.1107/S1600536812034502
PMCID: PMC3435595
PMID: 22969468
In the title molecule, C15H13NO2S, an intramolecular O—H⋯N 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—H⋯O 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.
doi:10.1107/S1600536812033879
PMCID: PMC3435656
PMID: 22969529
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—H⋯N and O—H⋯S hydrogen bonds make S(6) and S(5) ring motifs, respectively. In the crystal, there are no significant intermolecular interactions.
doi:10.1107/S1600536812034071
PMCID: PMC3435662
PMID: 22969535
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—H⋯O hydrogen bonds. In addition, π–π [centroid–centroid distance = 3.7279 (16) Å] and weak C—H⋯π interactions are observed.
doi:10.1107/S1600536812033491
PMCID: PMC3414174
PMID: 22904781
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).
doi:10.1107/S1600536812032138
PMCID: PMC3414144
PMID: 22904751
In the title compound, C17H14I4N2O2, there are two intramolecular O—H⋯N hydrogen bonds, which make S(6) ring motifs. In the crystal, there are no significant intermolecular interactions present.
doi:10.1107/S160053681203214X
PMCID: PMC3414953
PMID: 22904940
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—H⋯N hydrogen bonds making S(6) ring motifs. In the crystal, no significant intermolecular interactions are observed.
doi:10.1107/S1600536812029832
PMCID: PMC3414283
PMID: 22904816
In the title compound, C15H15N3O3·H2O, the hydazide Schiff base molecule shows an E conformation around the C=N bond. An intramolecular O—H⋯N 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—H⋯O hydrogen bonds, forming a two-dimensional network parallel to (001). C—H⋯O interactions aso occur.
doi:10.1107/S1600536812026633
PMCID: PMC3414187
PMID: 22904794
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—H⋯N hydrogen bonds, which make S(6) ring motifs. In the crystal, molecules are linked by C—H⋯O and weak C—H⋯Cl interactions, forming a three-dimensional network.
doi:10.1107/S1600536812029443
PMCID: PMC3414188
PMID: 22904795
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—H⋯O hydrogen bonds making S(6) ring motifs. In the crystal, molecules are linked by C—H⋯O hydrogen bonds, forming two-dimensional frameworks which lie parallel to (100). There are also short Cl⋯Cl [3.4395 (9) Å] contacts present.
doi:10.1107/S160053681202870X
PMCID: PMC3394033
PMID: 22798898
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—H⋯N hydrogen bonds making S(6) ring motifs. In the crystal, molecules are linked by pairs of weak C—H⋯Cl interactions, forming inversion dimers, which are further connected by C—H⋯O hydrogen bonds into two-dimensional frameworks that lie parallel to (001).
doi:10.1107/S1600536812028693
PMCID: PMC3394034
PMID: 22798899
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—H⋯N hydrogen bonds making S(6) ring motifs. In the crystal, molecules are linked by pairs of weak C—H⋯Br interactions into chains along [101], which include R
2
2(8) ring motifs. These chains are further linked by C—H⋯O hydrogen bonds, forming a three-dimensional network.
doi:10.1107/S1600536812028863
PMCID: PMC3394053
PMID: 22798918
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—H⋯O hydrogen bonds make S(5) and S(6) ring motifs. In the crystal, molecules are linked by pairs of weak C—H⋯Cl interactions, forming inversion dimers.
doi:10.1107/S1600536812028681
PMCID: PMC3393240
PMID: 22807808
17.
catena-Poly[{μ3-4,4′,6,6′-tetrachloro-2,2′-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}{μ2-4,4′,6,6′-tetrachloro-2,2′-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}dicopper(II)]
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 Cl⋯Cl 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).
doi:10.1107/S1600536812028462
PMCID: PMC3393241
PMID: 22807809
18.
catena-Poly[{μ3-4,4′,6,6′-tetrabromo-2,2′-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}{μ2-4,4′,6,6′-tetrabromo-2,2′-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}dicopper(II)]
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 Br⋯Br interactions [3.6142 (12)–3.6797 (12) Å] are observed.
doi:10.1107/S1600536812029285
PMCID: PMC3393252
PMID: 22807712
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—H⋯N 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—H⋯O hydrogen bonds link neighbouring independent molecules into infinite chains, of the type –A–B–A–B–, along the a axis, enclosing R
2
1(7) ring motifs. The chains are linked by N—H⋯O hydrogen bonds and C—H⋯O interactions, leading to the formation of a three-dimensional network.
doi:10.1107/S1600536812027948
PMCID: PMC3393987
PMID: 22798852
The asymmetric unit of the title compound, C7H9N3O2, comprises two crystallographically independent molecules (A and B). In each molecule there is an intramolecular O—H⋯O hydrogen bond making an S(6) ring motif. In the crystal, a pair of N—H⋯N hydrogen bonds link the two molecules (A and B) into a dimer with an R
2
2(6) ring motif. The B molecules are linked via pairs of N—H⋯O hydrogen bonds, forming inversion dimers with an R
2
2(10) ring motif. The molecules are further linked via other N—H⋯O hydrogen bonds, forming undulating two-dimensional networks lying parallel to the bc plane. These networks are finally linked via N—H⋯O hydrogen bonds, forming a three-dimensional structure.
doi:10.1107/S1600536812026190
PMCID: PMC3393929
PMID: 22798794
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—H⋯N hydrogen bond makes an S(6) ring motif. In the crystal, molecules are linked by N—H⋯O (bifurcated acceptor) and N—H⋯N hydrogen bonds, forming chains along the a axis. The interesting feature of the crystal structure is the short intermolecular C⋯O [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].
doi:10.1107/S1600536812025974
PMCID: PMC3393930
PMID: 22798795
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—H⋯N hydrogen bond makes an S(6) ring motif. In the crystal, molecules are linked through N—H⋯O (bifurcated acceptor) and O—H⋯O hydrogen bonds, forming two-dimensional networks lying parallel to (100).
doi:10.1107/S1600536812025950
PMCID: PMC3393931
PMID: 22798796
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 I⋯I [3.8178 (9) and 3.9013 (10) Å] interactions are present.
doi:10.1107/S1600536812024944
PMCID: PMC3393197
PMID: 22807765
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—H⋯O hydrogen bonds, forming dimers with R
2
2(6) ring motifs, and by O—H⋯Cl hydrogen bonds. There are short Cl⋯Cl [3.4728 (16), 3.4863 (16), and 3.388 (1) Å] contacts present, and molecules are also linked by C—H⋯O and π–π [centroid–centroid distance = 3.671 (2) Å] interactions.
doi:10.1107/S1600536812025986
PMCID: PMC3393198
PMID: 22807766
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 I⋯I [3.8766 (6) Å] contact is present and links neighbouring molecules into chains propagating along the a axis.
doi:10.1107/S1600536812020387
PMCID: PMC3379091
PMID: 22719312