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.
The title compound, C16H11ClN2O2·H2O, exists in an E conformation with respect to the N=C bond. The benzofuran ring system forms a dihedral angle of 1.26 (4)° with the benzene ring. In the crystal, molecules are linked via (N,C)—H⋯O bifurcated acceptor hydrogen bonds and (O,O,C)—H⋯O trifurcated acceptor hydrogen bonds, forming layers parallel to the bc plane.
The crystal of the title Schiff base compound, C20H18ClN3O3·H2O, was twinned by a twofold rotation about (100). The asymmetric unit contains two crystallographically independent molecules with similar conformations, and two water molecules. The C=N—N angles of 115.7 (6) and 116.2 (6)° are significantly smaller than the ideal value of 120° expected for sp
2-hybridized N atoms and the dihedral angles between the benzene ring and quinoline ring system in the two molecules are 52.5 (7) and 53.9 (7)°. The molecules aggregate via C—Cl⋯π and π–π interactions [centroid–centroid distances = 3.696 (5)–3.892 (5) Å] and weak C—H⋯O interactions as parallel sheets, which are further linked by water molecules through N—H⋯O and O—H⋯O hydrogen bonds into a supramolecular two-dimensional network.
In the Schiff base molecule of the title compound, C20H14ClN3O3·CH3COOH·H2O, the central benzene ring makes dihedral angles of 36.26 (7) and 27.59 (8)°, respectively, with the terminal chlorophenyl and pyridine rings. In the crystal, the three components are linked by O—H⋯O, N—H⋯O, O—H⋯N and C—H⋯O hydrogen bonds into a double-tape structure along the a axis.
In the title compound, C13H11ClN4O3, the phenyl and pyrrolyl ring are linked by an acyl–hydrazone (R
2C=N—N—CO—R) group, forming a slightly bent molecule: the dihedral angle subtended by the the phenyl and pyrrolyl rings is 8.46 (12)°. In the crystal, the three-dimensional supramolecular structure is assembled by N—H⋯O hydrogen bonding. Molecular sheets are formed parallel to (101) in a herringbone arrangement by weak van der Waals interactions; weak π–π [centroid–centroid phenyl–phenyl and pyrrolyl–pyrrolyl distances of 3.7816 (3) and 3.8946 (2) Å, respectively] interactions occur between neighbouring sheets.
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].
In the title compound, C13H12ClN3·H2O, the organic molecule is almost planar, with a dihedral angle of 3.22 (10)° between the benzene and pyridine rings. The crystal structure is stabilized by O—H⋯N and C—H⋯O hydrogen bonding and π–π stacking interactions [centroid–centroid distances = 3.630 (1) and 3.701 (1) Å].
The conformation about each of the imine and ethene bonds in the title hydrazide hydrate, C16H13ClN2O·H2O, is E. The hydrazide molecule is approximately planar (r.m.s. deviation of the 20 non-H atoms = 0.172 Å). The most significant twist occurs about the ethene bond [C—C=C—C = 164.1 (5)°] and the dihedral angle formed between the benzene rings is 5.3 (2)°]. In the crystal, the presence of N—H⋯Ow and O—H⋯Oc (× 2; w = water and c = carbonyl) hydrogen bonds leads to a supramolecular array in the bc plane.
The asymmetric unit of the title compound, C14H11ClN2O, contains two independent molecules. In one molecule, the two aromatic rings form a dihedral angle of 45.94 (16)°, while in the second molecule this angle is 58.48 (16)°. In the crystal, intermolecular N—H⋯O hydrogen bonds link the molecules into two crystallographically independent sets of chains propagating along .
In the title compound, C14H12ClN3O2·H2O, the benzene ring and the pyridine rings are oriented at a dihedral angle of 57.73 (12)° and an intramolecular O—H⋯N hydrogen bond generates an S(6) ring. In the crystal, the water molecule forms O—H⋯O and O—H⋯N hydrogen bonds to the organic molecule, leading to chains containing R
4(16) loops. In addition, weak aromatic π–π stacking interactions between the centroids of pyridine rings [at distance of 3.864 (2) and 4.013 (2) Å] and C—H⋯π interactions occur.
In the Schiff base molecule of the title compound, C14H11ClN2O3·2H2O, the benzene rings form a dihedral angle of 20.6 (1)°. The water molecules of crystallization are involved in the formation of a three-dimensional hydrogen-bonding network via O—H⋯O and N—H⋯O hydrogen bonds.
In the title compound, C13H9ClN4O4, there are two crystallographically independent molecules in the asymmetric unit, which have very similar conformations. The C=N—N angles in each independent molecule are 115.0 (2) and 116.6 (2)°, which are significantly smaller than the ideal value of 120° expected for sp
2-hybridized N atoms. This is probably a consequence of repulsion between the nitrogen lone pairs and the adjacent N—N bonds. Two bifurcated intramolecular N—H⋯O hydrogen bonds help to establish the molecular conformation and consolidate the crystal packing.
Single crystals of the title compound, C16H14N2O5·H2O, were obtained from a condensation reaction of 1,3-benzodioxole-5-carbohydrazide and 3-methoxysalicylaldehyde in a 95% ethanol solution. The asymmetric unit consists of a Schiff base molecule, which assumes an E configuration with respect to the C=N bond, and a water molecule of crystallization. The dihedral angle between the two substituted benzene rings is 12.7 (2)°. In the crystal structure, molecules are linked through intermolecular N—H⋯O and O—H⋯O hydrogen bonds, forming layers parallel to the bc plane.
In the title compound, C12H9ClN2O2·H2O, the dihedral angle between the aromatic rings is 13.9 (2)° and an intramolecular N—H⋯O hydrogen bond occurs. In the crystal structure, the components are linked by N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds.
In the title compound, C16H15ClN2O3·H2O, the water molecule is linked to the Schiff base molecule via an O—H⋯O hydrogen bond. In the Schiff base molecule, an intramolecular O—H⋯N hydrogen bond occurs and the dihedral angle between the two benzene rings is 20.5 (5)°. In the crystal, the Schiff base and water molecules are linked by intermolecular N—H⋯O and O—H⋯O hydrogen bonds, forming layers in the ab plane.
The asymmetric unit of title compound, C20H23ClN2O, consists of two crystallographically independent molecules (A and B) in which the orientations of the 4-isobutylphenyl units are different. The isobutyl group of molecule B is disordered over two positions with occupancies of 0.850 (5) and 0.150 (5). The dihedral angle between the two benzene rings is 88.70 (9)° in molecule A and 89.38 (9)° in molecule B. The independent molecules are linked together into chains along  by N—H⋯O and C—H⋯O hydrogen bonds, and by C—H⋯π interactions. In the chain, N—H⋯O and C—H⋯O hydrogen bonds generate R
1(6) ring motifs. In addition, C—H⋯N hydrogen bonds are observed. The presence of pseudosymmetry in the structure suggests the higher symmetry space group Pbca but attempts to refine the structure in this space group resulted in high R (0.119) and wR (0.296) values.
The asymmetric unit of the title compound, C20H16ClN3S, contains two independent molecules, A and B. In molecule A, the dihedral angles between the central benzene ring and the pendant chlorobenzene and phenyl rings are 6.37 (15) and 64.79 (15)°, respectively. The corresponding values in molecule B are 28.21 (14) and 82.11 (16)°, respectively. Each molecule features an intramolecular N—H⋯N hydrogen bond, which generates an S(5) ring. In the crystal, molecules A and B form dimers, being linked by two N—H⋯S hydrogen bonds with graph-set notation R
In the asymmetric unit of the title compound, C19H27ClN4O·0.5C2H6O·1.5H2O, there are two molecules of the Schiff base, which has a rigid adamantyl cage at one end of the C(= O)NH–N=CH– chain and an almost planar [torsion angles = 1.3 (1) and 7.9 (2)° imidazolyl ring at the other end, three molecules of water and one molecule of ethanol. In both independent molecules of the Schiff base, this chain displays an extended zigzag configuration. All their amino groups function as hydrogen-bond donors to water molecules; these are linked to other acceptor atoms, generating a layer structure. O—H⋯O and O—H⋯N interactions involving the water molecules also occur.
The asymmetric unit of the title compound, C15H13ClN2S2, contains two independent molecules, which are linked into a pseudo-centrosymmetric dimer by intermolecular N—H⋯S hydrogen bonds. The aromatic rings form dihedral angles of 67.06 (3) and 81.85 (2)° in the two independent molecules.
In the title compound, C14H11ClN2O4·H2O, the dihedral angle between the two benzene rings is 8.5 (2)° and an intramolecular O—H⋯N hydrogen bond is observed in the Schiff base molecule. In the crystal structure, the water molecule accepts an N—H⋯O hydrogen bond and makes O—H⋯O hydrogen bonds to two further Schiff base molecules. Further intermolecular O—H⋯O hydrogen bonds lead to the formation of layers parallel to the bc plane.
The asymmetric unit of the title compound, C16H12ClN3S, contains two independent molecules whose conformations differ primarily in the orientations of the phenyl and chlorobenzene rings with respect to the thiazole ring. In the first molecule, the dihedral angles are 3.0 (1) and 9.2 (1)°, respectively, for the phenyl ring and the chlorobenzene ring, while in the second molecule, the corresponding angles are 18.6 (1) and 23.4 (1)°. In the crystal, the two independent molecules are associated via complementary N—H⋯N hydrogen bonds into a dimer. These dimers are associated through weak C—H⋯Cl and C—H⋯S interactions into supramolecular chains propagating along the a-axis direction.
crystal structure; 1,3-thiazole; hydrogen bonding; hydrogen-bonded dimers
The title compound, C14H10Cl2N2O·H2O, has a nearly planar extended conformation [C—N—N—C = −173.66 (15)°]. The dihedral angle between the aromatic rings is 4.6 (2)°. The water molecules alternate with benzohydrazide molecules in chains formed by O—H⋯O hydrogen bonds which run parallel to the a axis. These chains are linked to neighboring chains through N—H⋯O and C—H⋯O interactions, forming a layer parallel to (001).
In the molecule of the title compound, C14H11ClN2O2, the dihedral angle between the benzene rings is 30.53 (4)°. In the crystal structure, intermolecular O—H⋯O and N—H⋯O hydrogen bonds link the molecules into a two-dimensional network. π–π contacts between benzene rings [centroid–centroid distance = 3.619 (1) Å] may further stabilize the structure. The crystal studied was found to be an inversion twin.
The asymmetric unit of the title compound, C14H11ClN2O2·H2O, contains a Schiff base molecule and a water molecule of crystallization. The dihedral angle between the two aromatic rings is 27.3 (4)°. In the crystal structure, molecules are linked into a two-dimensional network parallel to the bc plane by intermolecular O—H⋯O and N—H⋯O hydrogen bonds involving the water molecules.
The title compound, C26H21Cl2NO, crystallizes with two symmetry-independent molecules (A and B) in the asymmetric unit. In both molecules, the central heterocyclic ring adopts a sofa conformation. The dihedral angles between the planar part of this central heterocyclic ring [maximum deviations of 0.011 (1) and 0.036 (1) Å in molecules A and B, respectively] and the two almost planar [maximum deviations of 0.020 (1) and 0.008 (1) Å in A and 0.007 (1) and 0.011 (1) in B] side-chain fragments that include the aromatic ring and bridging atoms are 20.1 (1) and 31.2 (1)° in molecule A, and 26.4 (1) and 19.6 (1)° in molecule B. The dihedral angles between the planar part of the heterocyclic ring and the benzyl substituent are 79.7 (1) and 53.2 (1)° in molecules A and B, respectively. In the crystal, weak intermolecular C—H⋯O hydrogen bonds link the two independent molecules into dimers.