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1-(3,4-Dihy-droxy-phen-yl)hexan-1-one.

ABSTRACT: In the title compound, C(12)H(16)O(3), a fully extened hexyl carbon chain is attached to a benzene ring; the mean planes formed by the atoms in the benzene ring and the hexa-none are inclined at an angle 8.5 (2)° with respect to each other. In the crystal, inter-molecular O-H⋯O hydrogen bonds join the mol-ecules into an infinite sheet.

SUBMITTER: Peng XC

PROVIDER: S-EPMC3006993 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Pentyl (E)-3-(3,4-dihy-droxy-phen-yl)acrylate.

Project description:In the mol-ecule of the title compound, C(14)H(18)O(4), the C=C double bond is in an E configuration. The mol-ecule is almost planar (r.m.s. deviation of all non-H atoms = 0.04?Å). An intra-molecular O-H?O hydrogen bond occurs. In the crystal, inter-molecular O-H?O inter-actions link the mol-ecules into ribbons extending in [110].

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(E)-Isopentyl 3-(3,4-dihy-droxy-phen-yl)-acrylate.

Project description:The title compound, C(14)H(18)O(4), a derivative of caffeic acid, has an E configuration about the C=C bond. The benzene ring is almost coplanar with the C=C-C(O)-O-C linker [maximum deviation = 0.050?(2)?Å], making a dihedral angle of only 4.53?(2)°. In the mol-ecule, the adjacent hy-droxy groups form an O-H?O inter-action. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, generating a chain propagating in the [110] direction.

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(E)-Isopropyl 3-(3,4-dihy-droxy-phen-yl)acrylate.

Project description:In the title compound, C(12)H(14)O(4), a derivative of caffeic acid [(E)-3-(3,4-dihy-droxy-phen-yl)-2-propenoic acid], an intra-molecular O-H?O hydrogen bond forms an S(5) ring. In the crystal, inter-molecular O-H?O hydrogen bonds link mol-ecules into chains propagating in [110].

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Hexyl (E)-3-(3,4-dihy-droxy-phen-yl)acrylate.

Project description:The title mol-ecule, C(15)H(20)O(4), has an E conformation about its C=C bond and is almost planar (r.m.s. deviation of all non-H atoms = 0.04?Å). The crystal structurere features O-H?O and C-H?O hydrogen bonds.

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(E)-Methyl 3-(3,4-dihy-droxy-phen-yl)acrylate.

Project description:The benzene ring in the title compound, C(10)H(10)O(4), makes an angle of 4.4 (1)° with the C-C-C-O linker. The hy-droxy groups are involved in both intra- and inter-molecular O-H⋯O hydrogen bonds. The crystal packing is stabilized by O-H⋯O hydrogen-bonding inter-actions. The mol-ecules of the caffeic acid ester form a dimeric structure in a head-to-head manner along the a axis through O-H⋯O hydrogen bonds. The dimers inter-act with one another through O-H⋯O hydrogen bonds, forming supermolecular chains. These chains are further extended through C-H⋯O hydrogen bonds as well as van der Waals inter-actions into the final three-dimensional architecture.

| S-EPMC3051619 | biostudies-literature

(E)-N-Butyl-3-(3,4-dihy-droxy-phen-yl)acryl-amide hemihydrate.

Project description:In the title compound, C(13)H(17)NO(3)·0.5H(2)O, a new caffeic acid amide derivative, the solvent water mol-ecule lies on a twofold axis and the terminal ethyl group appears disordered with occupancy factors of 0.525?(6) and 0.475?(6). The benzene ring makes an angle of 17.3?(2)° with the C=C-C-O linker. The presence of an ethyl-enic spacer in the caffeic acid amide mol-ecule allows the formation of a conjugated system, strongly stabilized through ?-electron delocalization. The C=C double bond in the linker is trans, similar to those previously reported in caffeic esters. The crystal is stabilized by O-H?O, N-H?O and C-H?O hydrogen bonds. The mol-ecules of the caffeic acid amide form a supermolecular planar structure through O-H?O hydrogen bonds between a hy-droxy group of one caffeic acid mol-ecule and a carbonyl O atom of another. These planes inter-act via C-H?O, O-H?O and N-H?O hydrogen bonds to form a three-dimensional network.

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(1S,5R)-1-(3,4-Dichloro-phen-yl)-3-oxa-bicyclo-[3.1.0]hexan-2-one.

Project description:The absolute structure has been determined by X-ray analysis for the title compound, C(11)H(8)Cl(2)O(2). The five-membered ring of the mol-ecule is best described as a flattened envelope conformation with the methyl-ene C atom located 0.208 (2) Å below the plane formed by the other four atoms. A weak intermolecular C-H⋯O hydrogen bond is present in the crystal structure.

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(E)-1-(2,4-Dihy-droxy-phen-yl)-3-(4-hydroxy-phen-yl)prop-2-en-1-one monohydrate.

Project description:In the title compound, C(15)H(12)O(4)·H(2)O, the two benzene rings are not coplanar, making a dihedral angle of 7.24 (16)°. An intra-molecular hy-droxy-carbonyl O-H⋯O hydrogen bond occurs. In the crystal, four inter-molecular O-H⋯O hydrogen bonds involving the hy-droxy residues, the carbonyl group and the water mol-ecule lead to the formation of a three-dimensional network. The supra-molecular structure is further stabilized by weak C-H⋯O inter-actions.

| S-EPMC3052009 | biostudies-literature

(2E)-1-(3,4-Dichloro-phen-yl)-3-(2-hy-droxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(15)H(10)Cl(2)O(2), the dihedral angle between the mean planes of the two benzene rings is 7.7?(6)°. The crystal packing is influenced by O-H?O hydrogen bonds, which form chains along [010]. Weak ?-? stacking inter-actions [centroid-centroid distance = 3.6697?(13)?Å] are observed, which may contribute to the crystal packing stability.

| S-EPMC3275046 | biostudies-literature

(2,4-Dihy-droxy-6-meth-oxy-phen-yl)(3,5-dihy-droxy-phen-yl)methanone monohydrate.

Project description:The title benzophenone compound, C(14)H(12)O(6)·H(2)O, was isolated from the bark of Garcinia hombroniana Pierre (Guttiferae). The mol-ecule is twisted, the dihedral angle between the two benzene rings being 59.13?(7)°. The meth-oxy group is approximately coplanar with the attached benzene ring, with a C-O-C-C torsion angle of 1.91?(18)°. The water mol-ecule is disordered over two positions in a 0.555?(19):0.445?(19) ratio. An intra-molecular O-H?O hydrogen bond generates an S(6) ring motif. The crystal structure is stabilized by inter-molecular O-H?O hydrogen bonds. These inter-actions link the mol-ecules into sheets parallel to the ac plane. The sheets are stacked along the b axis by ?-? inter-actions, with centroid-centroid distances of 3.6219?(7)?Å. A weak O-H?? inter-action was also noted.

| S-EPMC3201278 | biostudies-other

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