171 research outputs found
(Z)-3-Diethylamino-6-({2-[(E)-4-(diethylamino)-2-hydroxybenzylideneamino]-4,5-dimethylphenyl}aminomethylidene)cyclohexa-2,4-dienone–5,5′-bis(diethylamino)-2,2′-[4,5-dimethyl-o-phenylenebis(nitrilomethylidyne)]diphenol
The asymmetric unit of the title Schiff base compound, C30H38N4O2, comprises two crystallographically independent molecules, A and B. The structure is non-merohedrally twinned with a refined BASF ratio of 0.219 (6):0.701 (6). Molecule B shows both phenol–imine and keto–amine tautomeric forms in a single structure. The dihedral angles between the central ring and the two outer rings are 5.9 (3) and 48.4 (3)° in molecule A, and 48.3 (3) and 6.9 (3)° in molecule B. Strong intramolecular O—H⋯N and N—H⋯O hydrogen bonds generate S(6) ring motifs. The crystal structure is further stabilized by intermolecular C—H⋯O, C—H⋯π and π–π interactions [centroid–centroid distances = 3.870 (4)–3.871 (4) Å]
3,3′-Dimethoxy-2,2′-[(4,5-dimethyl-o-phenylene)bis(nitrilomethanylylidene)]diphenol
The asymmetric unit of the title compound, C24H24N2O4, comprises two crystallographically independent molecules A and B. The dihedral angles between the central dimethyl-substituted benzene ring and the two outer benzene rings are 49.5 (1) and 5.06 (11)° in molecule A, and 42.55 (8) and 5.77 (9)° in molecule B. In each molecule, two strong intramolecular O—H⋯N hydrogen bonds generate two S(6) ring motifs. The crystal structure is further stabilized by intermolecular π–π [centroid–centroid distances of 3.591 (1)–3.876 (1) Å] interactions
5,5′-Bis(diethylamino)-2,2′-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenol
The asymmetric unit of the title compound, C27H40N4O2, comprises one molecule of a potentially tetradentate Schiff base ligand. The dihedral angle between the two phenyl rings is 67.13 (10)°. Strong intramolecular O—H⋯N hydrogen bonds generate S(6) ring motifs. One terminal methyl among the four diethylamino groups is disordered over two positions with the refined site occupancy ratio of 0.660 (7)/0.340 (7)
{1,1′-[Butane-1,4-diylbis(nitrilomethylidyne)]di-2-naphtholato}copper(II) ethanol monosolvate
The asymmetric unit of the title compound, [Cu(C26H22N2O2)]·C2H5OH, comprises a Schiff base complex and an ethanol molecule of crystallization. The CuII atom shows a distorted square-planar geometry. The dihedral angle between the two aromatic rings is 48.16 (13)°. The crystal structure is stabilized by intermolecular O—H⋯O and C—H⋯O hydrogen bonds and intermolecular π–π interactions with centroid–centroid distances in the range 3.485 (2)–3.845 (3) Å
{2,2′-[(2,2-Dimethylpropane-1,3-diyldinitrilo)bis(phenylmethylidyne)]diphenolato}nickel(II)
The asymmetric unit of the title complex, [Ni(C31H28N2O2)], comprises two crystallographically independent molecules. The geometry around the NiII atom in each molecule is distorted square planar. The dihedral angles between the two phenoxy rings in each molecule are 17.8 (4) and 36.5 (4)°. The crystal packing is stabilized by weak π–π interactions [centroid–centroid distance = 3.758 (5) Å] and C—H⋯π interactions
2-[4-(4,5-Dihydro-1H-pyrrol-2-yl)phenyl]-4,5-dihydro-1H-imidazole
The molecule of the title compound, C12H14N4, lies about a crystallographic inversion centre. The five- and six-membered rings are twisted from each other, forming a dihedral angle of 18.06 (7)°. In the crystal structure, neighbouring molecules are linked by intermolecular N—H⋯N hydrogen bonds into one-dimensional infinite chains forming 18-membered rings with R
2
2(18) motifs. The crystal structure is further stabilized by weak intermolecular π–π stacking [centroid–centroid distance = 3.8254 (6) Å] and C—H⋯π interactions
{4,4′-Dimethyl-2,2′-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}nickel(II) monohydrate
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—H⋯O hydrogen bonds form R
2
2(6) ring motifs. In addition, there are weak intermolecular C—H⋯O hydrogen bonds, and π–π stacking interactions with a centroid–centroid distance of 3.4760 (8) Å
{4,4′-Dibromo-2,2′-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato-κ4 O,N,N′,O′}copper(II)
In the title compound, [Cu(C19H18Br2N2O2)], the CuII ion is in a tetrahedrally distorted planar geometry, involving two N and two O atoms from the tetradentate Schiff base ligand. Intermolecular C—H⋯O hydrogen bonds form an eight-membered R
2
2(8) motif. The dihedral angle betwen two benzene rings is 36.34 (9)°. There are intermolecular Cu⋯Br [3.4566 (5) Å] and Cu⋯·N [3.569 (3) Å] contacts, which are significantly shorter than the sum of van der Waals radii of the relevant atoms. These interactions, along with the intermolecular C—H⋯π and π–π [centroid–centroid distances of 3.709 (1) and 3.968 (2) Å] interactions, link neighbouring molecules into a one-dimensional infinite chain along the c axis
(E)-N′-(4-Chlorobenzylidene)-p-toluenesulfonohydrazide 0.15-hydrate
The asymmetric unit of the title compound, C14H13ClN2O2S·0.15H2O, a novel sulfonamide derivative, comprises two crystallographically independent molecules (A and B) and a water molecule of crystallization, which is partially occupied. One of the molecules (B) is disordered over two positions (B and C) with refined site occupancies of 0.605 (10) and 0.395 (10). The dihedral angles between the two benzene rings in molecules A, B and C are 67.8 (3), 74.6 (5) and 84.96 (11)°, respectively. In the crystal structure, intermolecular N—H⋯O and C—H⋯O hydrogen bonds link the components of the asymmetric unit. The crystal structure is further stabilized by intermolecular π–π interactions [centroid–centroid distances = 3.4518 (10)–3.5859 (10) Å]
5-[(E)-(5-Bromo-2-hydroxybenzylidene)amino]-1,3,4-thiadiazole-2(3H)-thione
In the title molecule, C9H6BrN3OS2, the dihedral angle between the benzene ring and the five-membered ring is 5.5 (3)°. An intramolecular O—H⋯N hydrogen bond forms an S(6) ring motif. In the crystal, N—H⋯S hydrogen bonds link molecules into centrosymmetric dimers creating R
2
2(8) ring motifs. In addition, there are intermolecular S⋯S [3.430 (2) Å] contacts. The crystal used was a non-merohedral twin with a ratio of 0.113 (3):0.887 (3) for the components
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