The dinuclear title compound, [Zn(2)(C(19)H(17)N(3)O(2))(2)(H(2)O)(2)]·4C(2)H(6)OS, lies about a center of inversion. The deprotonated monoanion O,N,O-chelates the Zn atom; the hydr-oxy O atom also engages in bonding to the symmetry-related Zn atom so that one N and three O atoms form a square around the metal. The coordination geometry is square-pyramidal, with the apical site occupied by a water mol-ecule. Hydrogen bonds, with the water mol-ecule serving as donor atom, lead to the formation of a linear chain motif. There is an N-H⋯O hydrogen bond between the complex molecule and solvent O atom.
In the mol-ecule of the title compound, C(12)H(13)N(3)O(3)S, the pyrrolidine ring adopts a half-chair conformation and the dihedral angle formed by the nitro group with the benzene ring is 15.18 (18)°. In the crystal, mol-ecules are linked by N-H⋯S and C-H⋯O inter-molecular hydrogen bonds into chains parallel to the c axis.
In the title compound, C15H20BrNO2, there are two independent mol-ecules (A and B) comprising the asymmetric unit and these adopt very similar conformations. In A, the dihedral angle between the CO2 and MeC=CMe2 groups is 80.7 (3)°, and these make dihedral angles of 3.5 (3) and 84.09 (16)°, respectively, with the bromo-benzene ring. The equivalent dihedral angles for mol-ecule B are 78.4 (3), 2.1 (3) and 78.37 (12)°, respectively. The most prominent inter-actions in the crystal packing are amine-N-H⋯O(carbon-yl) hydrogen bonds between the two independent mol-ecules, resulting in non-centrosymmetric ten-membered {⋯OC2NH}2 synthons. Statistical disorder is noted for each of the terminal methyl groups of the ethyl residues.
In the title compound, C17H15NO4, the conformation about the C=C double bond [1.348 (2) Å] is E with the ketone group almost co-planar [C-C-C-C torsion angle = 7.2 (2)°] but the phenyl group twisted away [C-C-C-C = 160.93 (17)°]. The terminal aromatic rings are almost perpendicular to each other [dihedral angle = 81.61 (9)°] giving the mol-ecule an overall U-shape. The crystal packing feature benzene-C-H⋯O(ketone) contacts that lead to supra-molecular helical chains along the b axis. These are connected by π-π inter-actions between benzene and phenyl rings [inter-centroid distance = 3.6648 (14) Å], resulting in the formation of a supra-molecular layer in the bc plane.
In the title compound, C16H20O6, the conformation about the C=C double bond [1.344 (2) Å] is Z. With respect to this bond, the ketone is almost coplanar [C-C-C-O torsion angle = -179.60 (10)°] and the ester is almost perpendicular [C-C-C-O = 78.42 (13)°]. The meth-oxy substituents of the central benzene ring are either almost coplanar [C-C-O-C = 3.54 (15) and 177.70 (9)°] or perpendicular [C-C-O-C = 80.08 12)° for the central substituent]. In the crystal, the three-dimensional architecture features C-H⋯O and π-π [inter-centroid distance = 3.6283 (6) Å] inter-actions.
In the title compound, C(6)H(7)ClN(+)·NCS(-), the benzene ring and the protonated amine and chloro substituents are nearly planar, with a maximum deviation of 0.002 (2) Å for the N atom. In the crystal, the mol-ecules are linked by N-H⋯N and N-H⋯S hydrogen bonds into a chain along the b axis.
In the title mol-ecule, C23H22N2OS, the di-phenyl-acetyl and ethyl-benzene groups adopt a trans-cis conformation, respectively, with respect to the S atom across the (S=)C-N bonds. This conformation is stabilized by an intra-molecular N-H⋯O hydrogen bond and a weak C-H⋯S hydrogen bond. The ethyl-substituted benzene ring forms dihedral angles of 87.53 (15) and 73.94 (15)° with the phenyl rings. In the crystal, N-H⋯O hydrogen bonds link mol-ecules into chains along [100]. A weak C-H⋯π inter-action is also observed.
The title mol-ecule, C22H17F3N2OS, adopts a trans-cis conformation with respect to the positions of the carbonyl and tri-fluoro-methyl-benzene groups against the thio-carbonyl group across the C-N bonds. The mol-ecular structure is stabilized by an intra-molecular N-H⋯O hydrogen bond with an S(6) ring motif. The tri-fluoro-methyl-substituted benzene ring forms dihedral angles of 66.05 (9) and 47.19 (9)° with the terminal phenyl rings and is twisted from the O=C-N-(C=S)-N carbonyl-thio-urea plane [maximum deviation = 0.0535 (12) Å], making a dihedral angle of 63.59 (8)°. In the crystal, N-H⋯O and C-H⋯F hydrogen bonds link the mol-ecules into a layer parallel to the bc plane. A C-H⋯π inter-action is also observed.
In the title compound, C25H26N2OS, the diethyl-substituted benzene ring forms dihedral angles of 67.38 (9) and 55.32 (9)° with the terminal benzene rings. The mol-ecule adopts a trans-cis conformation with respect to the orientations of the di-phenyl-methane and 1,3-di-ethyl-benzene groups with respect to the S atom across the C-N bonds. This conformation is stabilized by an intra-molecular N-H⋯O hydrogen bond, which generates an S(6) ring. In the crystal, pairs of N-H⋯S hydrogen bonds link the mol-ecules into inversion dimers, forming R 2 (2)(6) loops. The dimer linkage is reinforced by a pair of C-H⋯S hydrogen bonds, which generate R 2 (2)(8) loops. Weak C-H⋯π and π-π [centroid-centroid seperation = 3.8821 (10) Å] inter-actions also occur in the crystal structure.
In the centrosymmetric mononuclear title complex, [Cu(C₁₈H₂₀N₂O₂)₂], the Cu(II) atom is four-coordinated in a trans-CuN₂O₂ square-planar geometry with the N-Cu-O chelate angle being 89.97 (11)°. The dihedral angles made by the planes defined by the aromatic ring carbons of the 4-methyl-benzene and 2,4-dimethyl-benzene fragments with the plane defined by the chelate ring are 13.43 (15) and 82.69 (13)° respectively. The angle between the planes defined by the aromatic carbons of the two rings is 89.40 (16)°. A a weak intra-molecular C-H⋯N hydrogen bond occurs.
The mol-ecule of the title compound, C(13)H(11)N(3)O(5)S, shows a phenyl group and an almost planar intra-molecularly hydrogen-bonded N'-(2-hydr-oxy-5-phenyl-ebenzyl-idene)hydrazino group disposed about the S atom. Adjacent mol-ecules are linked by N-H⋯O(nitro) hydrogen bonds, producing a linear chain that runs along the b axis of the unit cell.
The Cu atom in the title compound, [Cu(C(13)H(9)BrClN(2)O(3)S)(2)], is chelated by two deprotonated Schiff base ligands in a square-planar coordination geometry; the Cu atom lies on a center of inversion. The -NH- group of one anion forms an intra-molecular hydrogen bond to the phenolate atom of the symmetry-related ion.
The asymmetric unit of the title compound, C(27)H(32)N(4)O(4)·H(2)O, contains two independent benzimidazole-5-carboxyl-ate mol-ecules and two water mol-ecules. In both main mol-ecules, the pyrrolidine rings are in an envelope conformation with a methyl-ene C atom as the flap. The morpholine rings adopt chair conformations. Both benzimidazole rings are essentially planar, with maximum deviations of 0.008 (1) Å, and form dihedral angles of 37.65 (6) and 45.44 (6)° with the benzene rings. In one mol-ecule, an intra-molecular C-H⋯O hydrogen bond forms an S(7) ring motif. In the crystal, O-H⋯O and O-H⋯N hydrogen bonds connect pairs of main mol-ecules and pairs of water mol-ecules into two independent centrosymmetric four-compoment aggregates. These aggregates are connect by C-H⋯O hydrogen bonds leading to the formation of a three-dimensional network, which is stabilized by C-H⋯π interactions.
In the title compound, C(24)H(25)N(3)O(5), the eth-oxy group is disordered over two orientations in a 0.853 (14):0.147 (14) ratio. The benzimadazole ring system (r.m.s. deviation = 0.016 Å) makes a dihedral angle of 35.47 (7)° with the attached benzene ring. The pyrrolidine ring adopts an envelope conformation with a methyl-ene C atom as the flap. In the crystal, inversion dimers linked by pairs of O-H⋯N hydrogen bonds generate R(2) (2)(16) loops. C-H⋯O inter-actions link the dimers into a three-dimensional network.
In the title compound, C28H27FN4O3·H2O, the benzimidazole ring system is essentially planar with a maximum deviation of 0.028 (1) Å. It makes dihedral angles of 47.59 (5) and 60.31 (5)°, respectively, with the pyridine and benzene rings, which make a dihedral angle of 22.58 (6)° with each other. The pyrrolidine ring shows an envelope conformation with one of the methyl-ene C atoms as the flap. In the crystal, the components are connected into a tape along the b-axis direction through O-H⋯O and O-H⋯N hydrogen bonds and a π-π inter-action between the pyridine and benzene rings [centroid-centroid distance of 3.685 (8) Å]. The tapes are further linked into layers parallel to the ab plane by C-H⋯O and C-H⋯F inter-actions.
In the title compound, C24H23N3O2, the benzimidazole ring system makes dihedral angles of 7.28 (5) and 67.17 (5)°, respectively, with the planes of the benzene and phenyl rings, which in turn make a dihedral angle of 69.77 (6)°. In the crystal, mol-ecules are connected by C-H⋯N and C-H⋯O inter-actions, forming a layer parallel to the bc plane. A π-π inter-action, with a centroid-centroid distance of 3.656 (1) Å, is observed in the layer.
The title compound, C(13)H(10)Cl(2)N(2)S, represents a monoclinic polymorph of the previously reported ortho-rhom-bic form [Ramnathan et al. (1996 ▶). Acta Cryst. C52, 134-136]. The mol-ecule is twisted with the dihedral angle between the benzene rings being 55.37 (7)°. The N-H atoms are syn to each other, which contrasts their anti disposition in the ortho-rhom-bic form. In the crystal, mol-ecules assemble into zigzag chains along the c axis via N-H⋯S hydrogen bonds. Chains are connected into layers via C-H⋯Cl inter-actions, and these stack along the a axis.
In the title mol-ecule, C(24)H(20)N(2)O(4), the five-membered oxadiazole ring is nearly planar (r.m.s. deviation = 0.053 Å) and the phenyl ring of the biphenyl unit attached to it forms a dihedral angle of 73.2 (1)°; the other phenyl ring is close to coplanar with the oxadiazole ring [dihedral angle = 6.2 (2)°].
In the title compound, C(30)H(36)N(2)O(2)S, the dihedral angle between the two aromatic rings of the biphenyl residue is 31.2 (1)°. The two methyl-ene C atoms subtend an angle of 99.9 (1)° at the S atom. In the crystal, mol-ecules form inversion dimers linked by pairs of N-H⋯O hydrogen bonds. The hydroxyl group is shielded by the tert-butyl residues and is therefore not involved in any hydrogen bonding.
The dianion of the title salt, 2C(5)H(6)N(+)·C(12)H(6)N(2)O(4)S(2) (2-), lies on a special position of 2 site symmetry that relates one thio-nicotinate part to the other, and the dihedral angle between the niotinate planes is 89.2 (2)°. The pyridinium cations are hydrogen bonded to the carboxyl-ate group by way of N-H⋯O links.