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6-[(E)-3,7-Dimethyl-octa-2,6-dien-yl]-5,7-dihydr-oxy-8-(2-methyl-butano-yl)-4-phenyl-2H-chromen-2-one from Mesua kunstleri King (Kosterm).

ABSTRACT: The title compound, C(30)H(34)O(5), crystallizes with two symmetry-independent mol-ecules in the asymmetric unit. In the crystal structure, the two independent mol-ecules are disposed about a pseudo-center of inversion. An intra-molecular O-H⋯O hydrogen bond is observed in each independent mol-ecule. The crystal structure is stabilized by C-H⋯O hydrogen bonds.

SUBMITTER: Chan G

PROVIDER: S-EPMC2961863 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

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6-[(E)-3,7-Dimethyl-octa-2,6-dien-yl]-5,7-dihydr-oxy-8-(2-methyl-butano-yl)-4-phenyl-2H-chromen-2-one from Mesua kunstleri King (Kosterm).

Chan Gomathi G Awang Khalijah K A Hadi A Hamid AH Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20080625 Pt 7

The title compound, C(30)H(34)O(5), crystallizes with two symmetry-independent mol-ecules in the asymmetric unit. In the crystal structure, the two independent mol-ecules are disposed about a pseudo-center of inversion. An intra-molecular O-H⋯O hydrogen bond is observed in each independent mol-ecule. The crystal structure is stabilized by C-H⋯O hydrogen bonds. ...[more]

PMID: 21202956

Similar Datasets

6-[(2E)-3,7-Dimethyl-octa-2,6-dien-1-yl]-5,7-dihy-droxy-8-(2-methyl-butano-yl)-4-phenyl-2H-chromen-2-one-6-[(2E)-3,7-dimethyl-octa-2,6-dien-1-yl]-5,7-dihy-droxy-8-(3-methyl-butano-yl)-4-phenyl-2H-chromen-2-one (1/1) from Mesua elegans.

Project description:The title co-crystal, C(30)H(34)O(5)·C(30)H(34)O(5), comprises a 1:1 mixture of two mostly superimposed mol-ecules with the same chemical formula that differ in the nature of the substituent (2-methyl-butanoyl or 3-methyl-butano-yl) bound at the exocyclic ketone. The lactone ring is close to planar (r.m.s. deviation = 0.058 Å) and the phenyl ring is twisted out of this plane [dihedral angle = 60.08 (9)°]. The geranyl substituent is almost normal to benzene ring to which it is connected [C-C-C(ar)-C(ar) (ar = aromatic) torsion angle = -87.8 (2)°]. Intra-molecular O-H⋯O and O-H⋯π inter-actions are formed. In the crystal, supra-molecular chains are formed along the a axis owing to C-H⋯O contacts, with the lactone carbonyl atom accepting two such bonds.

| S-EPMC3343921 | biostudies-literature

N'-[(1E,2E)-3,7-Dimethyl-octa-2,6-dien-1-yl-idene]pyridine-4-carbohydrazide.

Project description:In the title compound, C(16)H(21)N(3)O, the mol-ecule adopts an E conformation about the central C=N double bond. The 2-methyl-pent-2-ene group is disordered over two sets of sites, with a refined occupancy ratio of 0.785 (8):0.215 (8). The dihedral angle between the essentially planar [the r.m.s. value for the major component is 0.021 (7) and its maximum deviation is 0.025 (4) Å; the r.m.s. value for the minor component is 0.03 (4) and its maximum deviation is 0.05 (3) Å] major and minor components of the 2-methyl-but-2-ene group is 35.9 (13)°. In the crystal, C-H⋯O and N-H⋯O hydrogen bonds link the molecules, with the same O atom acting as the acceptor. This results in C(1) (1)(4) and C(1) (1)(5) [001] chains.

| S-EPMC3344089 | biostudies-literature

3-[(E)-3,7-Dimethyl-octa-2,6-dien-yl]-5-methyl-N-nitro-1,3,5-oxadiazinan-4-imine.

Project description:The title compound, C(14)H(24)N(4)O(3), was synthesized by the reaction of geranyl and 3-methyl-4-nitro-imino-1,3,5-oxadiazinane. In the crystal structure, mol-ecules are assembled by weak inter-molecular C-H⋯O hydrogen bonds. The nitryl and the long carbon chain are located on the same side of the C=N bond due to the two weak intra-molecular C-H⋯N hydrogen bonds; the configuration of the oxadiazinane is Z.

| S-EPMC2961447 | biostudies-literature

5,7-Dihydr-oxy-3,6,8-trimethoxy-flavone.

Project description:The title compound (systematic name5,7-dihydr-oxy-3,6,8-trimeth-oxy-4H-chromen-4-one), C(18)H(16)O(7), is a flavone that was isolated from Ainsliaea henryi. There are two mol-ecules in the asymmetric unit, one of which has a disordered meth-oxy group [occupancy ratio 0.681 (9):0.319 (9)]. Both mol-ecules have an intra-molecular O-H⋯O hydrogen bond. In the crystal, mol-ecules are linked into O-H⋯O hydrogen-bonded chains parallel to [110].

| S-EPMC2971965 | biostudies-literature

(5,7-Dimethyl-2-oxo-2H-chromen-4-yl)methyl diethyl-dithio-carbamate.

Project description:In the title compound, C(17)H(21)NO(2)S(2), the coumarin ring system is nearly planar, with a maximum deviation of 0.080 (2) Å from the mean plane. An intra-molecular C-H⋯S hydrogen bond occurs. The crystal structure features C-H⋯S hydrogen bonds and weak π-π inter-actions with a centroid-centroid distance of 3.679 (1) Å.

| S-EPMC3379255 | biostudies-literature

(5,7-Dimethyl-2-oxo-2H-chromen-4-yl)methyl pyrrolidine-1-carbodithio-ate.

Project description:In the title compound, C(17)H(19)NO(2)S(2), the 2H-chromene ring system is almost planar, with a maximum deviation of 0.044 (2) Å, and the pyrrolidine ring adopts an envelope conformation. The dihedral angle between the 2H-chromene system and the planar part of the pyrrolidine ring is 83.65 (8)°. A weak intra-molecular C-H⋯S hydrogen bond occurs. The crystal structure features C-H⋯O hydrogen bonds and π-π inter-actions, with a centroid-centroid distance of 3.5728 (16) Å.

| S-EPMC3379197 | biostudies-literature

5,7-Bis(benz-yloxy)-2-[4-(benz-yloxy)phen-yl]-4H-chromen-4-one.

Project description:In the title compound, C(36)H(28)O(5), the terminal benzene rings are twisted at dihedral angles of 6.75 (12), 70.86 (14) and 82.02 (12)° with the respect to the central plana r[maximum deviation = 0.070 (3) Å] chromen-4-one ring system. In the crystal structure, π-π stacking is observed between parallel benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.7459 (16) Å].

| S-EPMC2980130 | biostudies-literature

2-(5,7-Dimeth-oxy-4-oxo-4H-chromen-2-yl)phenyl 4-toluene-sulfonate.

Project description:In the crystal structure of the title compound, C(24)H(20)O(7)S, the chromone system makes a dihedral angle of 37.32 (7)° with the adjacent benzene ring. The chromone ring system and the tolyl ring are almost parallel, with a dihedral angle of 4.56 (9)°. The tolyl ring is twisted at an angle of 41.75 (6)° with respect to the benzene ring. Weak intra- and inter-molecular C-H⋯O inter-actions are observed.

| S-EPMC2962194 | biostudies-literature

2-Phenyl-5,7-bis-(prop-2-en-1-yl-oxy)-4H-chromen-4-one.

Project description:In the title compound, C(21)H(18)O(4), tthe dihedral angle between the chromene ring system and the pendant phenyl ring is 6.1 (1)°. The crystal structure is stabilized by an intermolecular C-H⋯O and C-H⋯π inter-actions.

| S-EPMC2967853 | biostudies-literature

2-Oxo-2<i>H</i>-chromen-7-yl 3-methyl-butano-ate.

Project description:The title compound, C14H14O4, was synthesized by O-acyl-ation of umbelliferone with isovaleryl chloride in the presence of diethyl ether as a solvent and pyridine as a base. The side chain moiety i.e. the acetate fragment linking to the methyl-ethyl group is almost orthogonal to the almost planar (r.m.s deviation = 0.020 Å) coumarin ring system, making an angle of 76.26 (7)°. In the crystal, the mol-ecules form centrosymmetric dimers through pairwise C-H⋯O hydrogen bonds, generating R 2 2(8) and R 2 2(18) loops that lie within the crystallographic ac plane and propagate along the [001] direction.

| S-EPMC11904628 | biostudies-literature

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