The molecule of the title compound, C10H11N3O3, adopts an all-trans conformation and is approxomately planar, the largest deviation from the least-squares plane through all non-H atoms being 0.261 (1) Å. An intramolecular O—H⋯N hydrogen bond occurs. In the crystal, the molecules are packed into layers lying parallel to the ab plane by π-stacking interactions between the benzene ring of one molecule and the C—N bond of the oxime group of another molecule; the shortest intermolecular C⋯C separation within the layer is 3.412 (1) Å. The layers are connected by O—H⋯O and N—H⋯O hydrogen bonds.
The complete molecule of the title compound, C14H18O6, has a center of inversion at the centroid of the benzene ring and the asymmetric unit contains one half-molecule. The conformation of the side chain is anti [C—C—C—C = −171.40 (17)°]. In the crystal, pairs of head-to-head carboxylic acid O—H⋯O hydrogen bonds link the molecules into infinite zigzag chains propagating along . Weak C—H⋯π interactions between adjacent chains expand the structure into a layered network in the ac plane.
In the title compound, C20H22O8S, the dihedral angle between the two benzene rings is 81.6 (3)°. The benzene-connected portions of the alkoxy substituents are almost coplanar with their respective rings [C—C—O—C torsion angles of 174.77 (17) and −178.5 (4)°]. One of the butanoic acid groups is disordered over two conformations with a site-occupancy ratio 0.719 (6):0.281 (6). In the crystal, pairs of O—H⋯O hydrogen bonds link the molecules into infinite zigzag chains along .
In the title complex, [Ni(C7H14N4OS)2]Cl2, the NiII ion is six-coordinated in a distorted octahedral geometry by four N atoms from the two imine and two oxime groups, and two S atoms from the thione groups. Two chloride ions complete the asymmetric unit. In the crystal, molecules are linked through N—H⋯Cl and O—H⋯Cl hydrogen bonds into an infinite chain propagating along .
In the title coordination polymer, [Co(C14H16O6)(H2O)2]n, the CoII ion, situated on a twofold rotation axis, is coordinated by four O atoms from two 4,4′-[1,4-phenylenebis(oxy)]dibutanoate (L) ligands and two water molecules in a highly distorted octahedral geometry. Each L ligand is situated on an inversion center and bridges two CoII atoms, forming a zigzag polymeric chain propagating in . Intermolecular O—H⋯O hydrogen bonds further consolidate the crystal packing.
The corrphycene molecule of the title compound, [Cu(C36H36N4O4)]0.034.0.966C36H38N4O4, has an essentially planar macrocyclic framwork with a slightly distorted trapezoidal N4 core; the r.m.s. deviation of the peripheral 20 C atoms and four N atoms is 0.054 (3) Å. The surface area within the N4-coordinating core (8.358 Å2) is significantly smaller than that (8.503 Å2) of the corresponding free-base porphyrin. Two intramolecular N—H⋯N hydrogen bonds are observed. Detailed structure analysis clarified that the co-crystallization of the free-base corrphycene together with a quite minor component (ca 3%) of corrphycenato–CuII occurred in the recrystallization process.
In the title compound, C14H16N6O2, the dihedral angles formed by the mean plane of the acetohydrazide group [maximum deviation 0.0629 (12) Å] with the pyrazole and pyridine rings are 81.62 (6) and 38.38 (4)° respectively. In the crystal, molecules are connected by N—H⋯O and O—H⋯N hydrogen bonds into supramolecular chains extending parallel to the c-axis direction.
In the title compound, C20H21NO4, the two benzene rings are almost perpendicular to each other, making a dihedral angle of 86.1 (7)°. The hydroxyethanimine group is essentially coplanar with the benzene ring, the largest deviation from the mean plane of the hydroxyethanimine [C=N—OH] group being 0.011 (1) Å for the O atom. An intramolecular C—H⋯O hydrogen bond occurs. The molecules are linked into cyclic centrosymmetric R
2(6) dimers via O—H⋯N hydrogen bonds. Intermolecular C—H⋯O hydrogen bonds link the molecules, forming a C(8) chain along the a axis. The crystal packing is further stabilized by C—H⋯π interactions.
The title compound, C10H12N4O2, features an intramolecular N—H⋯N hydrogen bond formed between the imine NH and oxime N atoms. The oxime group and the amide C=O bond are anti to each other. In the crystal, molecules are connected by O—H⋯O hydrogen bonds into supramolecular zigzag chains along the c axis.
In the title compound, C20H21NO5, the dihedral angle between the mean planes through the two rings is 47.1 (8)°. The enoate group assumes an extended conformation. The hydroxyethanimine group is essentially coplanar with the benzene ring, the largest deviation from the mean plane being 0.061 (1) Å for the O atom. In the crystal, molecules are linked into cyclic centrosymmetric dimers with an R
2(6) motif via pairs of O—H⋯N hydrogen bonds. Intermolecular C—H⋯O hydrogen bonds form a C(8) chain along the b axis. The crystal packing is further stabilized by C—H⋯π interactions.
In the title compound, C17H14N2O2, the hydroxyethanimine group adopts an antiperiplanar conformation. In the crystal, molecules are linked by O—H⋯N hydrogen bonds, forming zigzag chains running along the c axis.
In the title compound, C11H15N3O3S, the C—S—N(H)—N linkage is nonplanar, the torsion angle being 75.70 (12)°. The compound has two almost planar fragments linked to the S atom: the hydrazone-derivative fragment [(HONC4H6)N—N(H)–] and the tolyl fragment (C7H7–) have maximum deviations from the mean plane through the non-H atoms of 0.0260 (10) and 0.0148 (14) Å, respectively. The two planar fragments make an interplanar angle of 79.47 (5)°. In the crystal, molecules are connected through inversion centers via pairs of N—H⋯O and O—H⋯N hydrogen bonds.
In the neutral, mononuclear title complex, [Ni(C4H6NO3)2(H2O)2], the Ni atom lies on a crystallographic inversion centre within a distorted octahedral N2O4 environment. Two trans-disposed anions of 3-hydroxyiminobutanoic acid occupy four equatorial sites, coordinated by the deprotonated carboxylate and protonated oxime groups and forming six-membered chelate rings, while the two axial positions are occupied by the water O atoms. The O atom of the oxime group forms an intramolecular hydrogen bond with the coordinated carboxylate O atom. The complex molecules are linked into chains along b by hydrogen bonds between the water O atom and the carboxylate O of a neighbouring molecule. The chains are linked by further hydrogen bonds into a layer structure.
The asymmetric unit of the title co-crystal, C12H10N4·2C8H8O2, comprises a single molecule of 2-phenylacetic acid and half a molecule of 4-pyridinealdazine as this is situated about a centre of inversion. Molecules are connected into a three component aggregate via O—H⋯N hydrogen bonds. As the carboxylic acid group is almost normal to the plane through the benzene ring to which it is attached [C—C—C—C = 93.7 (3) °], and the 4-pyridinealdazine molecule is planar (r.m.s. deviation of the 16 non-H atoms = 0.010 Å), the overall shape of the aggregate is that of an extended chair. In the crystal packing, layers of three component aggregates stack along the c axis.
The asymmetric unit of the title compound, [Ni(C6H12N4OS)2]Cl2, contains two independent NiII complex cations and four chloride anions. Each NiII ion is six-coordinated in a distorted octahedral geometry by four N atoms from the two imine and two oxime groups and two S atoms from the thione group. In the crystal, the cations and anions are linked through N—H⋯Cl and O—H⋯Cl hydrogen bonds into infinite chains propagating along . Weak intermolecular C—H⋯O and C—H⋯Cl hydrogen bonds are also observed.
In the title compound, C18H16N2O2, the dihedral angle between the mean planes through the two benzene rings is 56.8 (6)°. The enoate group assumes an extended conformation. The hydroxyethanimine group is essentially coplanar with the benzene ring, the largest deviation from the mean plane being 0.047 (1) Å for the hydroxyimino O atom. In the crystal, the molecules are linked into cyclic centrosymmetric dimers with R
2(6) motifs via O—H⋯N hydrogen bonds.
The molecule of the title compound, C5H9NO3, is essentially planar [the maximum deviation for a non-H atom from the mean plane is 0.021 (3) Å] due to the π-conjugation of the hydroxyimino and carbonyl groups, which are trans to each other; ab initio calculations in vacuo at the DFT (B3LYP/6–311G**++) level of theory confirmed that E conformer is indeed the lowest in energy. The packing in crystal structure is influenced by strong intermolecular O—H⋯N hydrogen-bonding interactions between oxime groups and also by π-stacking of the molecules due to the carbonyl and oxime group orbital overlap [interplanar distance between adjacent molecules = 3.143 (4) Å]. Jointly, these factors afford infinite 6.32 Å thick molecular sheets, where the plane of each molecule is perpendicular to the plane of the sheet. Seen from above, the molecules within the sheet are arranged in a herringbone pattern. Such sheets form a stack due to weak van der Waals interactions; the gap between adjacent sheets is 2.07 Å.
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—H⋯N hydrogen bond makes an S(6) ring motif. In the crystal, pairs of O—H⋯O hydrogen bonds link molecules, forming inversion dimers with R
2(8) ring motifs.
In the crystal structure of the title compound, C7H14N4OS, molecules are linked through N—H⋯S and O—H⋯N hydrogen bonds and C—H⋯S interactions, forming chains propagating along [21-1].
The title molecule, C11H10N2O6, has a Z conformation about the C=N bond of the oxime unit. There are significant twists from planarity throughout the molecule, the most significant being between the hydroxyimino and ester groups which are effectively orthogonal with an N—C—C—Ocarbonyl torsion angle of 91.4 (2)°. The crystal packing features oxime–benzoyl O—H⋯O contacts that lead to chains along  and C—H⋯O interactions also occur.
In the title compound, [Fe(C9H13N4O4)(NH3)2], the FeIII atom, lying on a mirror plane, is coordinated by four N atoms of a triply deprotonated tetradentate N-[2-(hydroxyimino)propionyl]-N′-[2-(oxidoimino)propionyl]propane-1,3-diaminide ligand in the equatorial plane and two N atoms of two ammonia molecules at the axial positions in a distorted octahedral geometry. A short intramolecular O—H⋯O hydrogen bond between the cis-disposed oxime O atoms stabilizes the pseudo-macrocyclic configuration of the ligand. In the crystal, molecules are linked by N—H⋯O hydrogen bonds into a three-dimensional network. The ligand has a mirror-plane symmetry. One of the methylene groups of the propane bridge is disordered over two sets of sites with equal occupancy factors.
The title complex, [Fe(C36H36N4O4)Cl], shows a domed structure with a slightly distorted trapezoidpyramidal core, in which the perpendicular displacements of the FeIII atom from the mean pyrrole N4 plane are 0.418 (3) and 0.465 (3) Å for the two crystallographically independent molecules.
The title centrosymmetric mononuclear complex, [Ni(C4H6NO3)2(H2O)2], is a polymorph of the previously reported complex [Dudarenko et al. (2010 ▶). Acta Cryst. E66, m277–m278]. The NiII atom, lying on an inversion center, is six-coordinated by two carboxylate O atoms and two oxime N atoms from two trans-disposed chelating 3-hydroxyiminobutanoate ligands and two axial water molecules in a distorted octahedral geometry. The hydroxy group forms an intramolecular hydrogen bond with the coordinated carboxylate O atom. The complex molecules are linked in stacks along  by a hydrogen bond between the water O atom and the carboxylate O atom of a neighboring molecule. The stacks are further linked by O—H⋯O hydrogen bonds into a layer parallel to (001).
The Ni atom of the title complex, [Ni(C8H8NO3)2]·2C3H7NO, lies on a center of inversion in a square-planar N2O2 coordination environment. An intramolecular O—H⋯O hydrogen bond exists between the oximic hydroxy group of one ligand and the metal-coordinated O atom of the symmetry-related ligand. The dimethylformamide solvent molecules are connected to the phenolate groups of the complex via O—H⋯O hydrogen bonds.
In the title compound, C9H10N4O2·H2O, the oxime unit has an E configuration, and an intramolecular N—H⋯N hydrogen bond results in the formation of a planar five-membered ring, which is oriented with respect to the aromatic ring at a dihedral angle of 74.82 (17)°. In the crystal structure, intermolecular O—H⋯O and N—H⋯O hydrogen bonds link the molecules and R
2(8) ring motifs are apparent.