In the title molecule, C28H33FN2O5S, the mean plane about the tertiary amine group (sum of the angles subtended at the sp
2-hybridized N atom = 359.7°) forms a dihedral angle of 16.66 (6)° with the phenyl ring adjacent to the carbamate group. The sulfonamide benzene ring and the hydroxy group lie to either side of the C2NS plane, whereas the benzylphenyl (connected to the N atom) and carbamate substituents lie to the other side. Supramolecular layers propagating in the ac plane are found in the crystal, linked by hydroxy–sulfonamide O—H⋯O and carbamate–carbamate N—H⋯O hydrogen bonds along with C—H⋯O and C—H⋯π interactions.
In the title compound, C16H16N4O4, the dihedral angle between the aromatic rings is 79.04 (8)° and an intramolecular N—H⋯O hydrogen bond occurs. In the crystal, weak C—H.·O and C—H..π interactions link the molecules, forming sheets.
The title Schiff base bisoxime compound, C20H24N2O6, lies across an inversion centre and adopts an E configuration with respect to the C=N bond. In the molecule, the oxime group is roughly coplanar with the benzene ring, forming a dihedral angle of 1.77 (2)°. An intramolecular O—H⋯N hydrogen bond forms a six-membered ring with an S(6) motif. Weak intermolecular C—H⋯O hydrogen bonding is present in the crystal structure.
In the title compound, C7H8N3
−, 1H-benzoimidazol-2-amine system adopts a planar conformation with an r.m.s. deviation of 0.0174 Å. The cation and anion in the asymmetric unit are linked by N—H⋯O hydrogen bonds. There are also additional intermolecular N—H⋯O hydrogen bonds and π–π stacking interactions between the phenyl rings of neighbouring anions with centroid–centroid distances of 4.0976 (13) Å.
In the crystal structure of the title compound, C33H32BrNO2, the naphthalene ring system and the benzene ring are oriented at dihedral angles of 82.24 (4) and 79.53 (4)°, respectively, to the quinoline ring system. An intramolecular O—H⋯N hydrogen bond occurs between the hydroxy H atom and the amine N atom.
The title compound, [Ru(C10H15)(C10H12O)][B(C6H5)4], crystallizes as discrete (η5-pentamethylcyclopentadienyl)Ru(η6-4-phenylbutan-2-one)]+ cations and [BPh4]− anions. In the cation, the non-H atoms of the butan-2-one group are approximately planar (r.m.s. deviation = 0.056 Å) and lie nearly perpendicular to the plane of the phenyl ring with a dihedral angle between the two planes of 69.3 (1)°. No significant C—H⋯O interactions are observed between the methyl and phenyl H atoms and the carbonyl O atom.
In the title compound, C21H24N2O3, the mean planes of the benzene ring and the benzimidazole ring system form a dihedral angle of 69.94 (7)°. The ethyl group atoms of the ethanoate fragment are disordered over two sets of sites, with refined occupancies of 0.742 (6) and 0.258 (6). In the crystal, there are weak C—H⋯N hydrogen bonds which connect molecules into chains along the b axis. A weak intermolecular C—H⋯π interaction is also observed.
In the title hydrate, C17H18N2O2·H2O, the dihedral angles formed by the aromatic rings of the benzene and methylbenzene groups with the mean planes of the attached NH—C(O)—CH2 fragments are 12.6 (4) and 23.3 (3)°, respectively, while that between the two aromatic rings is 73.7 (2)°. In the crystal, the water molecule accepts two and makes two hydrogen bonds. The molecules are packed into layers parallel to (101) by O—H⋯O and N—H⋯O hydrogen-bonding interactions.
In the title compound, C20H21ClN2O2, the benzene rings form dihedral angles of 6.35 (5) and 81.82 (5)° with the mean plane of the 4,5-dihydro-1H-pyrazole ring (r.m.s. deviation = 0.145 Å). This latter ring adopts an envelope conformation with the CH grouping as the flap. The dihedral angle between the benzene rings is 75.63 (4)°. In the crystal, molecules are linked by C—H⋯Cl and C—H⋯O hydrogen bonds into chains along [-201]. The crystal structure also features C—H⋯π interactions.
The title Schiff base compound, C20H18N4, lies across a crystallographic inversion centre and adopts E configurations with respect to the C=N bonds. The asymmetric unit of the compound is composed of one half-molecule. The imino group is coplanar with the benzene ring. Within the molecule, the planar units are parallel but extend in opposite directions from the methylene bridge. In the crystal structure, neighbouring molecules are linked together by weak intermolecular C—H⋯N hydrogen bonds involving the cyano N atoms. These form ten-membered rings, generating R
2(10) ring motifs, and link the molecules along the c axis.
The title Schiff base compound, C9H12N2O2, was obtained from a condensation reaction of butan-2-one and furan-2-carbohydrazide. The furan ring and the hydrazide fragment are roughly planar, the largest deviation from the mean plane being 0.069 (2)Å, but the butanylidene group is twisted slightly with respect to this plane by a dihedral angle of 5.2 (3)°. In the crystal, intermolecular N—H⋯O hydrogen bonds link pairs of inversion-related molecules, forming dimers of R
2(8) graph-set motif.
In the title compound, C19H18BrFN2O, the benzene rings form dihedral angles of 5.38 (7) and 85.48 (7)° with the mean plane of the 4,5-dihydro-1H-pyrazole ring (r.m.s. deviation = 0.0849 Å), which approximates to an envelope conformation with the –CH2– group as the flap. The dihedral angle between the benzene rings is 82.86 (7)°. In the crystal, C—H⋯F and C—H⋯O hydrogen bonds link the molecules to form inversion dimers and together these generate chains along . The crystal packing also features C—H⋯π interactions.
In the title Schiff base complex, [Ni(C18H14Cl4N2O2)(C3H7NO)2], the geometry around the NiII atom is distorted octahedral. It is coordinated by the N2O2 donor atoms of the tetradentate Schiff base ligand and the O atoms of two dimethylformamide molecules, which are cis to one another. The benzene rings are almost normal to each other [dihedral angle = 88.60 (14)°]. The various intramolecular C—H⋯O hydrogen bonds make S(5) and S(6) ring motifs. In the crystal, molecules are linked by pairs of weak C—H⋯Cl interactions, forming inversion dimers.
The title compound, C18H28N4O6, crystallizes with two molecules in the asymmetric unit which differ slightly in conformation. The dihedral angle between the amide plane and the benzene ring are 72.6 (2) and 66.8 (2)° in the two molecules. A strong intramolecular N—H⋯O hydrogen bond between the amino and nitro groups occurs in each molecule. The crystal structure features two symmetry-independent polymeric chains along  generated by N—H⋯O hydrogen bonds between the amide groups.
In the crystal structure of the title compound, C24H31NO3, molecules are connected via C—H⋯O intermolecular hydrogen bonds, forming dimers. The benzene rings are oriented at a dihedral angle of 29.8 (1)°.
The asymmetric unit of the title Schiff base compound, C20H18N4, contains one half-molecule, lying across a crystallographic inversion centre and adopting an E configuration with respect to the C=N bonds. The imino group is coplanar with the benzene ring with a maximun deviation of 0.096 (1) Å for the N atom. Within the molecule, the planar units are parallel but extend in opposite directions from the methylene bridge. In the crystal structure, neighbouring molecules are linked together by weak intermolecular C—H⋯N hydrogen bonds involving the cyano N atoms, forming R
2(10) ring motifs.
In the title compound, [Co(C17H12F3O3)2(C5H5N)2], the CoII ion is situated on a twofold rotation axis, coordinated by four O atoms from two 1-[4-(benzyloxy)phenyl]-4,4,4-trifluorobutane-1,3-dionate(1−) (L) ligands and two N atoms from two pyridine ligands in a distorted octahedral geometry. The two pyridine rings form a dihedral angle of 84.63 (7)°. The two benzene rings in L are twisted at 58.83 (5)°. Weak intermolecular C—H⋯F hydrogen bonds consolidate the crystal packing.
In the title compound, C10H12O2, the substituted benzene ring is inclined at a dihedral angle of 75.9 (1)° to the almost planar butan-2-one substituent (r.m.s. deviation = 0.02 Å). In the crystal, intermolecular O—H⋯O hydrogen bonds link the molecules into chains along the a axis.
In the title molecule, C24H32O10, one tert-butyl ester group is folded towards the central benzene ring while the other is directed away. The acetyl group is almost perpendicular to the benzene ring to which it is connected [C—C—O—C torsion angle = 90.4 (12)°]. The conformation about the ethene bond [1.313 (7) Å] is E. The atoms of the benzene ring and its attached ester group and part of the hydroxy tert-butyl ester side chain are disordered over two sets of sites in a 50:50 ratio. Linear supramolecular chains along the a axis mediated by hydroxy–carbonyl O—H⋯O hydrogen bonds feature in the crystal packing. The same H atom also partakes in an intramolecular O—H⋯O interaction.
The molecule of the title compound, C30H24N2O2S2, adopts a transoid conformation consistent with the inversion centre located at the mid-point of the central C—C single bond, resulting in one half molecule in the asymmetric unit. The dihedral angle between the coplanar benzothiazole ring system and the benzene ring is 11.06 (7)°. In the crystal structure, molecules are linked by weak intermolecular π–π interactions between thiazole and benzene rings to form a three-dimensional network.
The molecule of the title compound, C18H18Cl2N2O2, lies across a crystallographic inversion centre and adopts an E configuration with respect to the azomethine C=N bond. The imino group is coplanar with the aromatic ring. Within the molecule, the planar units are parallel, but extend in opposite directions from the dimethylene bridge. In the crystal structure, the title compound exhibits a layer packing structure via weak π–π stacking interactions [intermolecular plane-to-plane distances between adjacent aromatic rings are 3.461 (3) Å]. Molecules in each layer are linked by intermolecular C—H⋯O hydrogen-bonding interactions.
In the title hydrate, C19H25N3O3S·H2O, the configuration at each chiral centre in the organic molecule is S, with the hydroxy and carbamate substituents being anti [O—C—C—N torsion angle = −179.3 (3)°]. The thiopyrimidyl and carbamate residues lie to one side of the pseudo-mirror plane defined by the C5S backbone of the molecule; this plane approximately bisects the benzene ring at the 1- and 4-C atoms. The dihedral angle formed between the terminal rings is 5.06 (18)°. In the crystal, supramolecular tubes aligned along the b axis are found: these are sustained by a combination of O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds.
In the title compound, C12H15BrN2O2, the dihedral angle between the benzene ring and the mean plane of the amide grouping is 77.7 (8)°. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds occur, and the packing is further supported by C—H⋯O and C—H⋯Br interactions and weak π–π ring stacking interactions.
The title compound, C13H12O2S2, belonging to the group of dioxoketene cyclic S,S-acetals, was prepared from the corresponding dione in high yield. In the structure, the C=O and C=C bonds are not coplanar, with O=C—C=C torsion angles of −36.8 (4) and −21.0 (4)°. The dithian ring has a twisted conformation.
The title compound, C20H20Br4N2, is a product of the condensation reaction of 4,6-dibromo-2,3-dimethylaniline and butane-2,3-dione. The molecule has a center of symmetry at the mid-point of the central C—C bond. The dihedral angle between the benzene ring and the 1,4-diazabutadiene plane is 78.3 (2)°. Niether hydrogen bonding nor aromatic stacking is observed in the crystal structure.