The title compound has an E conformation about the azobenzene linkage and the benzene rings are almost coplanar to one another [dihedral angle = 1.36 (7)°]. In the crystal, a combination of O—H⋯O and C—H⋯O hydrogen bonds and C—H⋯π interactions leads to the formation of slabs parallel to (001).
The title compound, C16H14N2O3, has an E conformation about the azobenzene [—N=N– = 1.2481 (16) Å] linkage. The benzene rings are almost coplanar [dihedral angle = 1.36 (7)°]. The O atoms of the carboxylic acid group are disordered over two sets of sites and were refined with an occupancy ratio of 0.5:0.5. The two disordered components of the carboxylic acid group make dihedral angles of 1.5 (14) and 3.8 (12)° with the benzene ring to which they are attached. In the crystal, molecules are linked via pairs of O—H⋯O hydrogen bonds, forming inversion dimers. The dimers are connected via C—H⋯O hydrogen bonds, forming ribbons lying parallel to . These ribbons are linked via C—H⋯π interactions, forming slabs parallel to (001).
crystal structure; azobenzene; benzoic acid; liquid crystal; nematic phase
In the title compound, C16H12O5, synthesized from isopthaloyl chloride and 2′-hydroxyacetophenone, the dihedral angle between the planes of the aromatic rings is 71.37 (9)°. In the crystal, carboxylic acid inversion dimers generate R
2(8) loops. The dimers are linked by C—H⋯O interactions, generating (101) sheets.
crystal structure; 3-[(2-acetylphenoxy)carbonyl]benzoic acid; hydrogen bonding; 2′-hydroxyacetophenone; isopthaloyl chloride
The title phenylhydrazine derivative, C16H16N2O4, has a crystallographically imposed centre of symmetry. Except for the methyl group, all non-H atoms are almost coplanar (r.m.s. deviation = 0.0095 Å). Intramolecular O—H⋯N hydrogen bonds are observed, generating S(6) graph-set ring motifs.
There are two independent molecules in the asymmetric unit of the title compound, C12H9ClN2OS, a Schiff base derived from hydrazide, in which the dihedral angles between the thiophene and benzene rings are 3.6 (3) and 7.3 (3)°. In the crystal, the two independent molecules are arranged about an approximate non-crystallographic inversion center and are connected by two N—H⋯O hydrogen bonds. Weak C—H⋯Cl contacts are also present. Conversely, there are neither significant aromatic stacking interactions nor contacts involving S atoms.
In the title racemic Schiff base ligand, C20H20Cl2N2, which was prepared by the condensation of 2-chlorobenzaldehyde and cyclohexane-1,2-diamine, the cyclohexane ring adopts a chair conformation and the dihedral angle between the aromatic rings of the 2-chlorophenyl substituent groups is 62.52 (8)°. In the structure, there are two short intramolecular methine C—H⋯Cl interactions [C⋯Cl = 3.066 (2) and 3.076 (3) Å], and in the crystal there are also weak intermolecular aromatic C—H⋯Cl [3.464 (3), 3.553 (3) and 3.600 (3) Å] and Cl⋯Cl [3.557 (3) and 3.891 (3) Å] contacts.
In the title compound, C15H14O3, the dihedral angle between the benzene rings is 75.85 (7)°. In the crystal, centrosymmetrically related molecules are weakly associated through pairs of interactions between a benzene ring and an O atom of the ester group [ring centroid⋯O = 3.952 (7) Å], and through pairs of interactions between the other benzene ring and an O atom of the phenoxy group [ring centroid⋯O = 3.912 (7) Å], giving chains extending along .
In the title compound, C14H16N4, the six-membered hexahydropyrimidine ring adopts a chair conformation. In the crystal, one of the two pyrimidine N atoms engages in N—H⋯N hydrogen bonding with one of the pyridine N atoms, generating a helical chain running along the c axis. The helical pitch is the length of the c axis.
In the title compound, C16H16N2O3·H2O, the dihedral angle between the benzene rings is 30.27 (7)°. In the crystal, the components are linked by N—H⋯O, O—H⋯O and C—H⋯O interactions into a three-dimensional network.
In the title benzoylhydrazide derivative, C17H18N2O, the dihedral angle between the benzene rings is 88.45 (8)° and the azomethine double bond adopts an E conformation. In the crystal, molecules are linked by N—H⋯O and C—H⋯O hydrogen bonds, forming a chain along the b axis.
In the title hydrazone derivative, C15H13ClN2O2, the dihedral angle between the benzene rings is 2.36 (2)°. An intramolecular N—H⋯O hydrogen bond is present. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds link the molecules into chains running parallel to the b axis.
In the title hydrazone derivative, C15H14N2O5, the benzene rings are twisted by 7.55 (8)° with respect to each other. The azomethine double bond adopts an E conformation. The molecular structure is stabilized by intramolecular O—H⋯N and N—H⋯O hydrogen bonds, generating S6 ring motifs. In the crystal, molecules are linked into a three-dimensional network by O—H⋯O hydrogen bonds.
The title compound, [HgCl2(C14H12N2)], consists of one 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand chelating the HgII ion and two chloride ligands coordinating to the HgII ion, forming a distorted tetrahedral environment. The dmphen ligand is nearly planar (r.m.s. deviation = 0.0225 Å). The dihedral angle between the normal to the plane defined by the HgII atom and the two Cl atoms and the normal to the plane of the dmphen ring is 81.8 (1)°.
In the title compound, C29H21O3P, a coumarin-substitued ylid, the P atom is linked to three benzene rings and a planar coumarin moiety via a methylenecarbonyl group. The bond lengths in the P=C–C=O fragment clearly indicate a delocalized system involving the olefinic and carbonyl bonds. The molecular structure is stabilized by an intramolecular C—H⋯O interaction that results in an S7 graph-set ring motif. In the crystal, molecules are linked into a three-dimensional framework by C—H⋯O hydrogen bonds.
In the title compound, C16H15N3O, the dihedral angle between the indole ring system (r.m.s. deviation = 0.020 Å) and the phenyl ring is 14.49 (9)°. The molecular conformation is supported by an intramolecular C—H⋯O interaction, which closes an S(7) ring. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R
The molecule of the title compound, C16H16N2O4, adopts an E conformation about the azomethine C=N double bond. The dihedral angle formed by the benzene rings is 18.88 (9)°. The molecular conformation is stabilized by an intramolecular O—H⋯N hydrogen bond, which forms an S(6) ring. In the crystal, the molecules are linked into chains parallel to  by N—H⋯O hydrogen bonds. The chains are further connected into a three-dimensional network by π–π stacking interactions with centroid–centroid distances of 3.6538 (10) and 3.8995 (11) Å.
The title compound, C15H14N2O4 adopts an E conformation about the azomethine double bond. Intramolecular N—H⋯O and O—H⋯N hydrogen bonds generate S(6) rings and help to establish the molecular conformation. The dihedral angle between the benzene rings is 17.84 (10)°. In the crystal, molecules are linked by O—H⋯O and C—H⋯O hydrogen bonds into a two-dimensional network with a herring-bone pattern arranged parallel to the bc plane.
In the title compound, C25H17ClF3N3O2S, the five-membered 1,3-thiazolidine ring adopts a twist conformation. The three F atoms of the CF3 group are disordered over two sets of sites with refined occupancies of 0.542 (18) and 0.458 (18). In the nine-membered 1H-indoline ring system, the 1H-pyrrole ring forms a dihedral angle of 4.7 (2)° with the benzene ring, while it is twisted at an angle of 46.5 (2)° with respect to the attached phenyl ring. The dihedral angle between the phenyl and trifluoromethyl-substituted benzene rings is 56.0 (2)°. In the crystal, N—H⋯O hydrogen bonds connect the molecules into a three-dimensional network. In addition, weak C—H⋯O hydrogen bonds and weak C—H⋯π interactions are observed.
The asymmetric unit of the title compound, [Hg(SCN)2(C14H12N2)], contains two complex molecules in which the HgII atoms are both four-coordinated in a distorted tetrahedral configuration by two N atoms from a chelating 2,9-dimethyl-1,10-phenanthroline ligand and by two S atoms from two thiocyanate anions. The 1,10-phenanthroline ligand is slightly folded for one complex, the dihedral angle between the pyridine planes being 5.3 (1)°. In contrast it is nearly planar [0.5 (1)°] as it complexes with the other HgII atom. The thiocyanate ligands are virtually linear and the S atom is bonded to HgII with N⋯S—Hg angles ranging from 99.3 (1) to 103.5 (1)°. Despite the presence of six aromatic rings in the asymmetric unit, there are no significant intermolecular π–π contacts between phenanthroline ligands as the centroid–centroid distance of the closest contact between six-membered rings is 4.11 (1) A°.
The title compound, C15H14N2O5·CH3OH, displays an E conformation about the azomethine double bond [C=N = 1.277 (2) Å] and the benzene rings are inclined to one another by 18.28 (9)°. An intramolecular O—H⋯O hydrogen bond occurs between the para-OH group and one of the meta-O atoms of the 3,4,5-trihydroxybenzylidene group. In the crystal, the components are linked into a three dimensional network by O—H⋯O, O—H⋯N and C—H⋯O hydrogen bonds.
In the title compound, C14H13N3O2·H2O, the azomethine double bond adopts an E conformation and the N—N=C—C torsion angle is 178.37 (19)°. The dihedral angle between the benzene and pyridine rings is 5.58 (12)° and the C atom of the methoxy group is roughly coplanar with its attached ring [deviation = 0.157 (3) Å]. In the crystal, the components are linked by O—H⋯O, O—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds, forming (001) sheets. The water O atom accepts one N—H⋯O and two C—H⋯O interactions from the adjacent organic molecule.
In the title compound, C17H18N2O4, the azomethine double bond adopts an E conformation with an N—N—C—C torsion angle of −178.3 (3)°. The benzene rings are almost coplaner, with a dihedral angle of 2.98 (14)° between their mean planes. In the crystal, the molecules are linked by N—H⋯O hydrogen bonds, resulting in chains of molecules lying parallel to the b axis. The structure is further consolidated by rather weak C—H⋯O hydrogen-bonding interactions, resulting in six-membered rings about inversion centers linked into chains arranged parallel to the b axis.
In the title compound, C19H20N2O6, the azomethine [C=N = 1.269 (2) Å] double bond adopts an E conformation and the dihedral angle between the planes of the benzene rings is 17.41 (11)°. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R
2(16) loops. The dimers are connected by C—H⋯O and C—H⋯N hydrogen bonds, forming sheets lying parallel to (100).
The title molecule, C10H9NO, is almost planar with an r.m.s. deviation for all non-H atoms of 0.0115 Å. In the crystal, molecules are connected through N—H⋯O hydrogen bonds into chains running along . The chains are further connected via C—H⋯π interactions, forming layers in the bc plane.
In the title thiophene-derived Schiff base compound, C12H8N2S2, the thiophene ring is slighty rotated from the benzothiazole group mean plane, giving a dihedral angle of 12.87 (6)°. The largest displacement of an atom in the molecule from the nine-atom mean plane defined by the non-H atoms of the benzothiazole ring system is 0.572 (1) Å, exhibited by the C atom at the 3-position of the thiophene ring. In the crystal, weak C—H⋯S hydrogen bonds involving the thiophene group S atom and the 4-position thiophene C—H group of a symmetry-related molecule lead to an infinite one-dimensional chain colinear with the c axis. The structure is further stabilized by π–π interactions; the distance between the thiazole ring centroid and the centroid of an adjacent benzene ring is 3.686 (1) Å. The crystal studied was an inversion twin with the ratio of components 0.73 (3):0.27 (3).
In the title co-crystal, C12H12N6O4·C14H16N4O2S, both molecules are essentially planar [maximum deviations = 0.129 (1) and 0.097 (1) Å, respectively]. The tricyclic and Schiff base molecules are alternately stacked along the a axis and are linked by π–π interactions with centroid–centroid distances of 3.5170 (16) and 3.6576 (17) Å. An intramolecular C—H⋯O hydrogen bond and a C—H⋯S contact occur in the Schiff base molecule. In the crystal, N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds lead to the formation of a three-dimensional network.