ABSTRACT: In the title compound, C(18)H(16)O(6), the dimethoxy-phenyl ring is rotated by 61.8?(1)° from the plane of the benzopyran system. The mol-ecule is stabilized by an intra-molecular O-H?O hydrogen bond.
Project description:The mol-ecular conformation of the title compound, C(10)H(8)O(4), isolated from Laretia acualis, is stabilized by a strong intra-molecular hydrogen bond between the hydroxyl and carbonyl groups. The crystal packing shows ?-? stacking inter-actions. The chromene (4H-1-benzopyran-4-one) unit is essentially planar.
Project description:In the title compound, C(18)H(16)O(6), the benzopyran group is essentially planar, with the O atoms of the substituent groups lying close to its mean plane. The mol-ecular conformation is governed by intra-molecular inter-actions. The crystal packing is mainly determined by one classical inter-molecular hydrogen bond which gives rise to the formation of an infinite chain along the a axis.
Project description:In the title compound, C(19)H(18)O(6), also known as 3,4',5,7-tetra-methoxy-flavone, the dihedral angle between the benzopyran-4-one group and the attached benzene ring is 11.23?(8)°. An intra-molecular C-H?O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked into a two-dimensional network parallel to (01) by inter-molecular C-H?O hydrogen bonds, which generate R(4) (4)(20), R(4) (4)(12) and R(2) (2)(14) ring motifs. Adjacent networks interact by ?-? inter-actions between the pyran ring and its methoxy-phenyl substituent [centroid-centroid distance = 3.5267?(8)?Å].
Project description:In the title compound (alternatively called 4',5,7-trimethoxy-flavone methanol solvate hydrate), C(18)H(16)O(5)·CH(3)OH·H(2)O, the flavone mol-ecule is almost planar, the inter-planar angle between the planes of the benzopyran-4-one group and the attached benzene ring being 4.69?(9)°. In the crystal, the flavone mol-ecule makes inter-molecular C-H?O hydrogen bonds to adjacent inversion-related flavone mol-ecules, generating R(2) (2)(8) and R(2) (2)(14) rings and an infinite ribbon. The inversion-related ribbons are stabilized through the inter-stitial water and methanol mol-ecules via inter-molecular O-H?O hydrogen bonds, generating R(4) (2)(8) and R(2) (1)(6) rings and C(2) (2)(4) chains, and are further sustained by ?-? inter-actions with an inter-planar spacing of 3.365?(2)Å.
Project description:The asymmetric unit of the title compound, C(26)H(12)ClNO(6), consists of two independent mol-ecules. The central pyran rings and both the 1-benzopyran ring systems are nearly planar in both mol-ecules [r.m.s. deviations of pyan rings = 0.0264?(1) and 0.0326?(1)?Å for molecules A and B, respectively; r.m.s. deviations of benzopyran rings = 0.0439?(1) and 0.0105?(1) for molecule A, 0.0146?(1) and 0.0262?(1)?Å for molecule B]. In the crystal, the molecules are linked by C-H?O, N-H?O and C-H?? inter-actions.
Project description:The title compound, C(16)H(12)O(5), was isolated from Morinda officinalis How. The anthraquinone ring system is almost planar, the dihedral angle between the two benzene rings being 1.12?(4)°. In the crystal structure, O-H?O and C-H?O hydrogen bonds link the mol-eculesin the crystallographic a-axis direction. Weak ?-? stacking inter-actions [centroid-centroid distance between symmetry-related benzene rings of 3.699?(4)?Å] are also present.
Project description:From a screen of small molecule libraries to identify potential therapeutics for psychostimulant abuse, 3-hydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-ones were shown to be isoform-selective PKC-zeta inhibitors.
Project description:Syringaresinol was synthesized in a one-pot conversion containing eugenol oxidase (EUGO) and horseradish peroxidase (HRP) using the relatively cheap 2,6-dimethoxy-4-allylphenol as a substrate. This conversion is fully coupled as the hydrogen peroxide generated from the reaction of EUGO with the substrate is utilized by the HRP to convert the formed sinapyl alcohol into syringaresinol. To improve the performance of EUGO on 2,6-dimethoxy-4-allylphenol, structure-inspired enzyme engineering was performed. This yielded the I427A EUGO mutant that is significantly more efficient with 2,6-dimethoxy-4-allylphenol. The I427A EUGO mutant together with HRP were capable of efficiently producing syringaresinol as a major product. After optimization and upscaling the conversion to a semipreparative scale (1 gr), syringaresinol was obtained in 81% yield.
Project description:In the title compound, C(26)H(12)FNO(6), the central pyran ring and both benzopyran systems are nonplanar, having total puckering amplitudes of 0.139?(2), 0.050?(1) and 0.112?(2)?Å, respectively. The central pyran ring adopts a boat conformation. The crystal structure is stabilized by C-H?O, N-H?O, N-H?F and C-H?? inter-actions.
Project description:The C=C double bond in the title substituted stilbene, C(18)H(17)Cl(2)NO(3), has a trans arrangement of the aryl substit-uents. The aromatic ring of the 2-acetyl-amino-phenyl substit-uent is twisted by 39.9?(3)° with respect to the central C-C=C-C unit and that of the 2,6-dichloro-3,5-dimethoxy-phenyl substitutent is twisted by 42.7?(3)°.