24 research outputs found
2′,3,4,4′,5-Pentamethoxychalcone
In the title chalcone [systemetic name 1-(2,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one], C20H22O6, the dihedral angle between the plane of the two benzene rings is 7.03 (4)° with all but one of the methoxy groups essentially co-planar with these rings [C—C—O—C torsion angles = −76.1 (2), −0.7 (3), 1.8 (3), −6.2 (3), 2.0 (3)°]. An intramolecular C—H⋯O interaction occurs. The crystal packing is stabilized by weak intermolecular C—H⋯O hydrogen bonds
Tricarbonyl(η6-flavone)chromium(0)
In the title compound, [Cr(C15H10O2)(CO)3], the Cr(CO)3 unit exhibits a three-legged piano-stool conformation. The chromium metal centre is coordinated by the phenyl ring of the flavone ligand [Cr—(phenyl centroid) distance = 1.709 (1) Å]. The ligand is approximately planar, the dihedral angles between the γ-pyrone ring and the phenyl ring and between the γ-pyrone and the phenylene ring being 2.91 (5) and 3.90 (5)°, respectively. The molecular packing shows π–π stacking between the flavone ligands of neighbouring molecules
Tetrakis(μ-2-methylbenzoato)bis[(2-methylbenzoic acid)copper(II)]
In the title centrosymmetric dinuclear compound, [Cu2(C8H7O2)4(C8H8O2)2], four o-toluate anions form a cage around two Cu atoms in a syn–syn configuration. Two more o-toluic acid molecules are apically bonded to the Cu atoms, which show a square-pyramidal coordination geometry. The acid H atoms are hydrogen bonded to the cage carboxyl O atoms [O⋯O = 2.660 (2) Å]. The molecular packing forms a puckered pseudo-hexagonal close-packed layer in the (h00) plane, with soft intermolecular H⋯H contacts (2.46–2.58 Å)
Racemic tricarbonyl[7-methoxy-2-(η6-phenyl)chromane]chromium(0)
In the title compound, [Cr(C16H16O2)(CO)3], the Cr0 atom of the Cr(CO)3 unit is coordinated to the phenyl ring of the flavan ligand in an η6 mode, with a normal arene-to-metal distance. The Cr(CO)3 unit exhibits a three-legged piano-stool conformation, while the dihydropyran ring displays a distorted envelope configuration. The phenyl ring is twisted away from the fused ring system by 25.5 (2)°. The methoxy group is almost coplanar with the phenyl ring [CMe—O—Car—Car torsion angle = 8.46 (2)°]. The crystal packing is stabilized by intermolecular C—H⋯O interactions
5-(3,4-Dimethoxybenzylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
In the title compound, C15H16N2O5, the dihedral angle between 1,3-diazinane and benzene rings is only 4.27 (1)°. The essentially planar molecular structure is characterized by a short intramolecular C—H⋯O separation and by an exceptionally large bond angle of 138.25 (14)° at the bridging methine C atom. The methoxy groups deviate somewhat from the plane of the benzene ring, with C—C—O—C torsion angles of −15.6 (1) and 9.17 (6)°. In the crystal, molecules form centrosymmetric dimers via donor–acceptor π–π interactions, with a centroid–centroid distance of 3.401 (1) Å
Dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate
In the title compound, C17H17NO4, the dihedral angle between the benzene and pyridine rings is 75.51 (4)°. The benzene and pyridine rings are both approximately planar (r.m.s. deviations of 0.0040 and 0.0083 Å, respectively), indicating that the pyridine N atom is not protonated. The crystal structure is stabilized by weak intermolecular C—H⋯O and C—H⋯N interactions
Tetrakis(μ-4-ethylbenzoato-κ2 O:O′)bis[(4-ethylbenzoic acid-κO)copper(II)]
The molecule of the title compound, [Cu2(C9H9O2)4(C9H10O2)2], lies on a center of inversion. It consists of four bridging ethylbenzoate ligands, forming a cage around two Cu atoms in a syn–syn configuration, and two monodentate ethylbenzoic acid ligands bonded apically to the square-planar Cu atoms. The Cu⋯Cu distance is 2.6047 (5) Å
Racemic tricarbonyl[(4a,5,6,7,8,8a-η)-2-phenyl-3,4-dihydro-2H-1-benzopyran]chromium(0)
The title compound, [Cr(C15H14O)(CO)3], displays a distorted envelope configuration of the dihydropyrane ring. The dihedral angle between the phenyl and phenylene rings is 50.63 (4)°. The Cr0 atom is coordinated by three CO groups and the phenylene ring of the flavan ligand in an η6 mode, with a common arene-to-metal distanc
4,5-Bis(2,4-di-tert-butylphenoxy)phthalonitrile
In the title compound, C36H44N2O2, the dihedral angles between the phthalonitrile ring and the two di-tert-butylbenzene rings are 68.134 (8) and 70.637 (11)°. The two nitrile groups are almost coplanar with the phthalonitrile ring except for one of the N atoms which deviates from the plane by 0.125 (4) Å. One of the tert-butyl groups is disordered over two orientations, with refined occupancies of 0.814 (6) and 0.186 (6). Intramolecular C—H⋯O interactions stabilize the molecular structure. The crystal packing is stabilized by intermolecular C—H⋯N interactions
Racemic tricarbonyl(η6-7-methoxyflavan)chromium(0)
In the title compound [systematic name: tricarbonyl(η6-7-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran)chromium(0)], [Cr(C16H16O2)(CO)3], the Cr(CO)3 unit is coordinated by the phenylene ring of the flavan ligand, exhibiting a three-legged piano-stool conformation, with a point to plane distance of 1.750 (1) Å. The phenyl ring is twisted away from the fused ring system by 36.49 (5)° (r.m.s. deviation = 0.027 Å; fitted atoms are the C6 ring and the attached fused-ring C and O atoms). The dihydropyran ring displays a distorted envelope configuration by displacement of the phenyl-bearing and the adjacent ring C atoms from the fused-ring system plane by 0.356 (2) and 0.402 (2) Å, respectively