The title compound, C13H9Cl3N2, was obtained from a condensation reaction of benzaldehyde and 2,4,6-trichlorophenylhydrazine. The molecule assumes an E configuration with the phenyl ring and trichlorophenyl ring located on opposite sides of the C=N bond. The phenyl ring is oriented at a dihedral angle of 42.58 (12)° with respect to the tricholorophenyl ring. In the crystal, the molecules are linked via N—H⋯N hydrogen bonds, forming supramolecular chains running along the c axis. π–π stacking is present between parallel trichlorophenyl rings of adjacent molecules, the face-to-face and centroid–centroid distances being 3.369 (14) and 3.724 (2) Å, respectively.
The asymmetric unit of the title compound, C15H15NO, contains two independent molecules, both of which exist in trans configurations with respect to the C=N bonds [1.278 (2) and 1.279 (2) Å]. In each molecule, intramolecular O—H⋯N hydrogen bonds generate S(6) ring motifs. In one molecule, the benzene rings form a dihedral angle of 13.38 (9)°, while in the other molecule the dihedral angle is 30.60 (10)°. In the crystal, the two independent molecules are linked via weak intermolecular C—H⋯O hydrogen bonds.
The title compound, 2C21H19N3O2·H2O, was synthesized by a Schiff base condensation of 2,6-diformylpyridine with 2-amino-4-methylphenol in ethanol. In the crystal, two molecules of 2,6-bis[(2-hydroxy-5-methylphenyl)iminomethyl]pyridine dimerize via hydrogen bonding to a water molecule, which lies on a twofold axis. There are also intramolecular phenol–imine hydrogen bonds. The dimers are further linked via π–π (phenyl–pyridine) [centroid–centroid distance = 3.707 (2) Å] and π–π edge-to-edge [3.392 (2) Å] interactions. The dihedral angles between the central ring and the two pendant rings are 11.46 (8) and 2.06 (8)° while the pendant rings make a dihedral angle of 10.14 (8)°.
In the title compound, C19H22N2O2, the morpholine ring adopts an almost perfect normal chair conformation with puckering parameters Q
T, θ and ϕ of 0.5642 (18) Å, 177.32 (17) and ϕ = 10 (4)°, respectively. The two benzene rings make a dihedral angle of 42.67 (8)° with each other. An intramolecular O—H⋯N hydrogen bond helps to stabilize the molecular conformation. Aromatic C—H⋯π interactions and π–π stacking interactions [centroid–centroid distance = 3.6155 (15) Å] between the benzene rings contribute to the stabilization of the crystal structure.
In the title chalcone derivative, C15H8Cl4O, the C=C double bond exists in an E configuration and the dihedral angle between the two benzene rings is 48.13 (11)°. In the crystal, molecules are arranged into columns and stacked down the a axis featuring possible weak aromatic π–π stacking interactions [centroid–centroid separation = 3.888 (2) Å].
In the title Schiff base molecule, C13H9ClFNO, the benzene rings are twisted slightly with respect to each other, making a dihedral angle of 7.92 (2)°. An intramolecular O—H⋯N hydrogen bond occurs. In the crystal, an infinite chain is formed along the c-axis direction by π–π stacking interactions between the phenyl rings and the six-membered hydrogen-bonded ring of neighboring Schiff base ligands [centroid–centroid distances of 3.698 (2) and 3.660 (3) Å]. Neighboring chains are linked into a three-dimensional supramolecular structure by C—H⋯O and C—H⋯F hydrogen bonds.
The crystal structure of the title compound, C14H12N2O4, contains four crystallographically independent molecules in the asymmetric unit. All the molecules have similar conformations; the dihedral angles between the aromatic rings are 33.1 (1), 33.76 (9), 31.41 (9) and 32.56 (10)°. Intramolecular O—H⋯N hydrogen bonds form S(6) ring motifs in each molecule. In the crystal, there are two pairs of pseudo-inversion-related molecules. Along the c axis, molecules are stacked with π–π interactions between the 2-hydroxyphenyl and 4-methoxy-2-nitrophenyl rings [centroid–centroid distances = 3.5441 (12)–3.7698 (12) Å].
The molecule of the title compound, C16H16N2O4, exists in the E configuration with respect to the central C=N double bond. The dihedral angle between the two benzene rings is 2.17 (9) Å. In the crystal, molecules are linked via O—H⋯N hydrogen bonds into chains that propagate along the b-axis direction. There is also π–π stacking of inversion-related molecules, with interplanar spacings of 3.479 (5) Å and ring centroid–centroid distances of 3.876 (4) Å.
The title compound, C13H8BrCl2NO, was obtained by reaction of 3-bromo-5-chlorosalicylaldehyde and 2-chlorobenzenamine in methanol. The molecule displays an E configuration with respect to the imine C=N double bond. The dihedral angle between the two benzene rings is 4.57 (11)°. The molecular conformation is stabilized by an intramolecular O—H⋯N hydrogen bond. In the crystal structure, molecules are linked by intermolecular C—H⋯O hydrogen-bonding interactions into zigzag chains running parallel to the b axis. Intermolecular Br⋯Cl [3.5289 (11) Å] and Cl⋯Cl [3.5042 (12) Å] interactions are present.
The benzene and phenyl rings in the title compound, C14H9Cl3N2OS, form a dihedral angle of 40.98 (6)°. The molecule exists in the thione form with typical thiourea C—S [1.666 (2) Å] and C—O [1.227 (3) Å] bond lengths as well as shortened C—N bonds [1.345 (3) and 1.386 (2) Å]. An intramolecular N—H⋯O hydrogen bond stabilizes the molecular conformation. In the crystal, pairs of N—H⋯S hydrogen bonds link the molecules into centrosymmetric dimers.
The asymmetric unit of title compound, C19H22INO, contains two independent molecules. Classical intramolecular O—H⋯N hydrogen bonds stabilize the molecular structures. The crystal structure is stabilized by weak intermolecular C—H⋯π and π–π [centroid–centroid = 3.8622 (18) Å] interactions. In both molecules, the aromatic rings are nearly perpendicular to each other [dihedral angles = 84.26 (17) and 86.69 (15)°].
In the title compound, [Cu(C12H9N2O)2], the CuII atom lies on a crystallographic inversion center and has a nearly square-planar geometry. The CuII center coordinates to the phenolic O and azomethine N atoms of the two symmetry-related 2-[(2-pyridyl)iminomethyl]phenolate ligands. The pyridyl N atoms do not coordinate to the CuII atom but participate in intramolecular C—H⋯N hydrogen bonding. π–π stacking between the benzene rings and between the pyridyl rings [centroid–centroid distances 3.8142 (5) and 3.8142 (5) Å, respectively] links the molecules into a chain propagating parallel to .
The title compound, C14H9Br2N3O·0.5C2H5OH, crystallizes with two 2-[(1H-benzimidazol-2-yl)iminomethyl]-4,6-dibromophenol molecules and one ethanol solvent molecule in the asymmetric unit. The benzene and benzimidazole rings subtend dihedral angles of 4.5 (3) and 5.2 (2)° in the two molecules. In the crystal, one molecule presents π–π stacking with the equivalent molecule related by inversion, at a distance of 3.30 Å (separation between molecular mean planes). A three-dimensional network is formed through N—H⋯N, N—H⋯O and O—H⋯N hydrogen bonds.
The title compound, C15H13ClN2O2, adopts an E conformation with respect to the azomethine C=N bond. The aniline and phenol rings are almost coplanar, making a dihedral angle of 3.33 (2)°. In the crystal, the molecules lie about inversion centers, forming dimers that are connected by intermolecular O—H⋯N hydrogen bonds, resulting in six-membered rings with graph-set motif R
2(6). In addition, there is a strong intermolecular O—H⋯N hydrogen-bonding interaction, resulting in an S(6) ring motif. Weak π–π interactions between the benzene rings [centroid–centroid distance = 3.809 (1) Å] further stabilize the crystal structure.
The title compound, C17H19NO2, exists as an enol–imine tautomer. The dihedral angle between the two benzene rings is 4.6 (2)°. The molecular structure is stabilized by intramolecular O—H⋯O and O—H⋯N hydrogen bonds which generate S(5) and S(6) ring motifs, respectively. In the crystal, molecules are linked into centrosymmetric dimers by pairs of O—H⋯O hydrogen bonds. In addition, C—H⋯π interactions involving both benzene rings are observed.
The title compound, C14H9ClF3NO2, crystallizes in a phenol–imine tautomeric form, with a strong intramolecular O—H⋯N hydrogen bond. The dihedral angle between the two benzene rings is 47.62 (9)°. In the crystal, molecules are linked into chains along the c axis by C—H⋯O hydrogen bonds, and weak C—H⋯π interactions involving both benzene rings are also observed.
The asymmetric unit of the title compound, C13H8ClI2NO, contains half of the molecule situated on a mirror plane. The hydroxy group is involved in the formation of an intramolecular O—H⋯N hydrogen bond. π–π interactions between the benzene rings of neighbouring molecules [centroid–centroid distance = 3.629 (3) Å] form stacks along the b axis. In the crystal, weak C—H⋯O and C—H⋯Cl interactions are observed.
The asymmetric unit of the title compound, C20H14Cl3NO, consists of two independent molecules. In one molecule, the chlorinated benzene ring forms dihedral angles of 12.00 (9) and 77.04 (9)° with the phenyl rings. The dihedral angle between the phenyl rings is 80.37 (10)°. The corresponding dihedral angles for the other molecule are 26.34 (10), 62.98 (10) and 88.47 (11)°, respectively. One of the molecules features an intramolecular C—H⋯O hydrogen bond, which forms an S(6) ring motif. In the crystal, molecules are linked by N—H⋯O hydrogen bonds into  chains. The chains are further linked by C—H⋯O and C—H⋯Cl hydrogen bonds into a three-dimensional network.
The title compound, C15H15NO2, adopts the enol–imine tautomeric form. The dihedral angle between the two benzene rings is 48.1 (1)°. Intramolecular O—H⋯N and O—H⋯O hydrogen bonds generate S(6) and S(5) ring motifs, respectively. In the crystal, molecules are linked into centrosymmetric R
2(10) dimers via pairs of O—H⋯O hydrogen bonds and the dimers may interact through very weak by π–π interactions [centroid–centroid distance = 4.150 (1) Å]. The ethyl group is disordered over two orientations, with occupancies of 0.587 (11) and 0.413 (11).
The asymmetric unit of the title compound, C14H8Cl4N2OS·0.5H2O, contains two independent molecules with different conformations with respect to the aromatic ring planes, and one water molecule. The bond lengths and angles are typical of thiourea compounds of this class. The molecule exists in the solid state in its thione form with typical thiourea C—S and C—O bonds lengths, as well as shortened C—N bonds. The dihedral angles between the two aromatic planes are 66.93 (8) and 60.44 (9)° in the two independent molecules. An intramolecular N—H⋯O hydrogen bond stabilizes the molecular conformation and the crystal packing is characterized by N—H⋯O, O—H⋯S and O—H⋯Cl hydrogen bonds.
The title anilide–imine compound, C24H26N2O, features an intramolecular N—H⋯N hydrogen bond involving the imine and anilide groups to generate an S(6) ring motif. The molecule displays an E configuration about the imine C=N double bond, with the dihedral angle between the two benzene rings being 86.5°. The packing is stabilized by three different C—H⋯π interactions.
In the title compound, the pyran and pyrone rings adopt slightly distorted half-chair and envelope conformations, respectively. In the crystal, C—H⋯O and π–π interactions connect the molecules, forming double layers that stack along the c-axis direction.
In the title compound, C30H28N2O6, the pyran ring adopts a slightly distorted half-chair conformation and the pyrone ring adopts an envelope conformation, with the C atom bearing the carboxylate group as the flap. The pyrazole ring [maximum deviation = 0.002 (2) Å] forms a dihedral angle of 13.2 (1)° with the attached benzene ring. The near-planar atoms of the pyran ring and the pyrazole ring are close to coplanar, the dihedral angles between their mean planes being 6.4 (1)°. The dihedral angle between the pyrone ring and the benzene ring of the chromene unit is 10.7 (1)°. The molecular conformation is stabilized by an intramolecular C—H⋯O hydrogen bond, which generates an S(6) ring motif. In the crystal, C—H⋯O interactions generate supramolecular chains propagating in  and these are connected into double layers that stack along the c-axis direction by weak π–π interactions between pyrazole rings [centroid–centroid distance = 3.801 (1) Å].
crystal structure; conformation; crystal packing; chromene
In the title compound, C24H27BrN4O4S2, the molecule is twisted at the sulfonyl S atom with a C—S(O2)—N(H)—C torsion angle of 62.6 (3)°. The benzene rings bridged by the sulfonamide group are tilted to each other by a dihedral angle of 60.6 (1)°. The dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 62.7 (1)°. The morpholine ring adopts a chair conformation. The molecular conformation is stabilized by a weak intramolecular π–π stacking interaction between the pyrimidine and the 2,4,6-trimethylbenzene rings [centroid–centroid distance = 3.793 (2) Å]. In the crystal, molecules are linked by N—H⋯O hydrogen bonds into a chain along the b axis.
The title compound, C14H12INO, adopts the phenol–imine tautomeric form. The dihedral angle between the aromatic rings is 20.6 (3)°. The molecular conformation is stabilized by an intramolecular O—H⋯N hydrogen bond while in the crystal, weak intermolecular C—H⋯O hydrogen bonds link the molecules into a zigzag chain parallel to the b axis.
In the title compound, C12H11Cl3N2O4, the dihedral angle between the aromatic ring and the hydrazine (NH—N=C) grouping is 52.2 (3)°. The butanedioate groups exhibit planar conformations. An intramolecular N—H⋯O hydrogen bond links the N—H group of the hydrazine to one of the methoxy groups of the butanedioate moiety. In the crystal, molecules are linked by C—H⋯O hydrogen bonds and π–π interactions are also observed [centroid–centroid separation = 3.535 (1) Å].