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8-Iodo-5,7-dimeth-oxy-4-methyl-2H-chromen-2-one.

ABSTRACT: In the title compound, C(12)H(11)IO(4), the C and O atoms of both meth-oxy groups lie very close to the mean plane of the six C atoms of the benzene ring. The O and C atoms of the group lying closest to the I atom are 0.012 (3) and 0.022 (4) Å, respectively, out of the mean plane. For the other meth-oxy group, the corresponding distances are 0.020 (3) and 0.078 (4) Å. In the crystal, there are only very weak inter-molecular C-H⋯O hydrogen bonds and O⋯I contacts [3.080 (2) Å]. The mol-ecules are approximately parallel to (100), forming a layered structure.

SUBMITTER: Pereira Silva PS

PROVIDER: S-EPMC3099918 | biostudies-literature |

REPOSITORIES: biostudies-literature

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5,7-Dimeth-oxy-2-phenyl-4H-chromen-4-one.

Project description:The asymmetric unit of the title compound, C(17)H(14)O(4), contains two independent mol-ecules which differ in the relative orientations of the phenyl rings with repect to the essentially planar [maximum deviations of 0.029?(2) and 0.050?(2)?Å in the two mol-ecules] chromene fused-ring system, forming dihedral angles of 10.3?(5) and 30.86?(5)° in the two mol-ecules. The crystal structure is stabilized by weak C-H?O and C--H?? inter-actions, and ?-? stacking inter-actions.

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3-Hydroxy-meth-yl-6,8-dimeth-oxy-2H-chromen-2-one.

Project description:The asymmetric unit of the title compound, C(12)H(12)O(5), contains four independent mol-ecules. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the mol-ecules into one-dimensional infinite chains. They are arranged in a nearly parallel fashion along the b axis and stabilized by ?-? inter-actions [3.443?(2)?Å].

| S-EPMC2961715 | biostudies-literature

6-Meth-oxy-4-methyl-2H-chromen-2-one.

Project description:The whole mol-ecule of the title coumarin derivative, C(11)H(10)O(3), is approximately planar, with a maximum deviation of 0.116?(3)?Å from the least-squares plane defined by all non-H atoms. In the crystal, adjacent mol-ecules are linked into chains along [011] via inter-molecular C-H?O hydrogen bonds.

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4-Bromo-methyl-6-meth-oxy-2H-chromen-2-one.

Project description:The structure of the title coumarin derivative, C(11)H(9)BrO(3), is stabilized by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3009337 | biostudies-literature

5,7-Dihy-droxy-2-(3-hy-droxy-4,5-dimeth-oxy-phen-yl)-6-meth-oxy-4H-chromen-4-one.

Project description:The title compound, C18H16O8, was isolated from the plant Artemisia baldshuanica Krasch et Zarp. The mol-ecule is approximately planar, with the exception of the terminal methyl groups, the C atoms of which devitate from their attached ring planes by 1.243 (5) and 1.168 (5) Å. The dihedral angle between the substituted benzopyran and benzene rings is 5.8 (1)°; this near planarity could be due to conjugation or a packing effect. Intra-molecular O-H⋯O and C-H⋯O hydrogen bonds occur. In the crystal, mol-ecules are connected by O-H⋯O hydrogen bonds involving the hy-droxy and carbonyl groups, forming hydrogen-bonded chains along [001] and [1-10]. The chains are linked by C-H⋯O inter-actions.

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6,8-Diiodo-5,7-dimeth-oxy-4-methyl-coumarin.

Project description:In the title compound, C(12)H(10)I(2)O(4), the meth-oxy groups are twisted considerably with respect to the plane of the aromatic ring [CH(3)-O-C-C torsion angles = -85.9 (3) and -92.8 (3)°]. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds and O⋯I contacts [3.194 (2) Å].

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Crystal structure of 4-methyl-7-prop-oxy-2H-chromen-2-one.

Project description:The asymmetric unit of the title compound, C13H14O3, contains two independent mol-ecules, A and B, that are inter-connected through an offset π-π inter-action [inter-centroid separation = 3.6087 (4) Å]. The fused benzene and pyran-2-one rings in each mol-ecule are essentially coplanar, having dihedral angles of 1.22 (12) and 1.57 (12)° for mol-ecules A and B, respectively. Similarly, the coumarin ring system and the 7-prop-oxy substituent are close to being coplanar [C-C-O-C torsion angles = 2.9 (2) and 1.4 (2)° for mol-ecules A and B, respectively]. In the crystal, the mol-ecules are connected by C-H⋯O hydrogen bonds, forming supra-molecular tapes along [100] that are linked into a three-dimensional network by C-H⋯π inter-actions, as well as by the aforementioned π-π inter-actions.

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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.

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5,7-Dihy-droxy-3,6-dimeth-oxy-2-(4-meth-oxy-phen-yl)-4H-chromen-4-one monohydrate.

Project description:The title compound, C(18)H(16)O(7)·H(2)O, is a flavonoid isolated from Dodonaea viscosa-. The benzopyran ring system of the flavonoid is essentially planar [maximum deviation = 0.025?(2)?Å] and inclined at 5.83?(2)° to the attached benzene ring. The water of hydration is involved in extensive hydrogen bonding, assembling the mol-ecules into a supra-molecular network via classical inter-molecular O-H?O hydrogen bonding. The crystal structure is further stabilized by ?-? stacking inter-actions [centroid-centroid distance between benzene rings = 3.564?(3)?Å].

| S-EPMC3009314 | biostudies-other

(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 ?-? inter-actions, with a centroid-centroid distance of 3.5728?(16)?Å.

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