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(E)-3-(4-Chloro-phen-yl)-1-(5-hy-droxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-en-1-one.

ABSTRACT: There are two independent mol-ecules in the asymmetric unit of the title compound, C(20)H(17)ClO(3), each having an E configuration about the -C=C- bond. The dihedral angles between the two benzene rings in the two mol-ecules are 7.17 (11) and 9.82 (11)°. In both mol-ecules, the hy-droxy group is involved in an intra-molecular O-H⋯O hydrogen bond.

SUBMITTER: Tang J

PROVIDER: S-EPMC3274975 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(E)-1-(5-Hy-droxy-2,2-dimethyl-2H-chromen-6-yl)-3-(3,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(23)H(24)O(6), crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. The dihedral angles between the benzopyran ring and the ?,?-unsaturated ketone unit and between the ?,?-unsaturated ketone group and the benzene ring are 9.4?(10) and 12.96?(13)°, respectively, in mol-ecule A and 1.40?(17) and 4.44?(17)°, respectively, in mol-ecule B. The two meth-oxy groups at the meta positions of the benzene ring are close to being coplanar with the ring [C-O-C-C = 6.2?(3) and -1.4?(3)° in mol-ecule A and -4.2?(4) and 3.7?(3)° in mol-ecule B], whereas the third meth-oxy group, at the para position, is (+)-anti-clinal with respect to the benzene ring [C-O-C-C = 81.7?(3)°] in mol-ecule A and is (-)-synclinal with respect to the benzene ring [C-O-C-C = -103.2?(3)°] in mol-ecule B. In both independent mol-ecules, the hy-droxy group is involved in an intra-molecular O-H?O hydrogen bond.

| S-EPMC3089353 | biostudies-literature

4-Hy-droxy-3-[(4-hy-droxy-6,7-dimethyl-2-oxo-2H-chromen-3-yl)(4-oxo-4H-chromen-3-yl)meth-yl]-6,7-dimethyl-2H-chromen-2-one.

Project description:In the title compound, C(32)H(24)O(8), the mol-ecular structure is disordered over two positions with refined site occupancies of 0.8746?(10) and 0.1254?(10). The mean plane of the three chromeno rings make dihedral angles with each other of 65.12?(4), 62.91?(4) and 59.70?(4)° in the major occupancy component and 59.1?(3), 66.1?(3) and 58.8?(3)° in the minor component. Intra-molecular O-H?O hydrogen bonds stabil-ize the mol-ecular structure and the crystal structure is stabilized by weak C-H?? and ?-? inter-actions [centroid-centroid distances 3.496?(6)-3.672?(7)?Å].

| S-EPMC3009289 | biostudies-literature

3-[(E)-3-(2,4-Dichloro-phen-yl)prop-2-en-oyl]-4-hy-droxy-2H-chromen-2-one.

Project description:In the title compound, C(18)H(10)Cl(2)O(4), the chromen-2-one ring system is almost planar [maximum deviation = 0.028?(1)?Å] and is inclined at an angle of 16.35?(4)° with respect to the benzene ring. The C=C bond has an E configuration. The mol-ecular conformation is stabilized by an almost symmetric intra-molecular O?H?O hydrogen bond and a C-H?O inter-action, both of which form S(6) ring motifs. In the crystal structure, mol-ecules are linked into sheets lying parallel to (100) via inter-molecular C-H?O hydrogen bonds. The crystal packing is further consolidated by ?-? stacking inter-actions [centroid-to-centroid separation = 3.6615?(6)?Å].

| S-EPMC3009251 | biostudies-literature

4-Hy-droxy-3-[(4-hy-droxy-2-oxo-2H-3-chromen-yl)(3-thien-yl)meth-yl]-2H-chromen-2-one.

Project description:The whole mol-ecule of the title compound, C(23)H(14)O(6)S, is disordered over two sets of sites with refined occupancies of 0.8733?(12):0.1267?(12). The dihedral angle between the mean planes through the chromene ring systems is 56.31?(5) and 55.2?(3)° for the major and minor components, respectively. In both components, a pair of intra-molecular O-H?O inter-actions generate rings of S(8) graph-set motif. In the crystal, the mol-ecules are linked by inter-molecular C-H?O inter-actions, forming chains along the b axis. The structure is further stabilized by ?-? inter-actions with centroid-centroid distances of 3.594?(2) and 3.608?(5)?Å.

| S-EPMC3089123 | biostudies-literature

4-Hy-droxy-3-[(E)-3-phenyl-prop-2-eno-yl]-2H-chromen-2-one.

Project description:In the title mol-ecule, C(18)H(12)O(4), the phenyl ring is twisted by 23.2?(1)° from the mean plane of the chromene system. In the crystal, weak inter-molecular C-H?O hydrogen bonds link mol-ecules into zigzag chains extending in the [010] direction. An intra-molecular O-H?O hydrogen bond is also present.

| S-EPMC3213638 | biostudies-literature

Bis-{(E)-3-[2-(hy-droxy-imino)-propan-amido]-2,2-dimethyl-propan-1-aminium} bis[?-(E)-N-(3-amino-2,2-dimethyl-prop-yl)-2-(hy-droxy-imino)-propanamido-(2-)]bis-{[(E)-N-(3-amino-2,2-dimethyl-prop-yl)-2-(hy-droxy-imino)-propanamide]-copper(II)} bis-((E)-{3-[2-(hy-droxy-imino)-propanamido]-2,2-dimethyl-prop-yl}carbamate) acetonitrile disolvate.

Project description:The reaction between copper(II) nitrate and (E)-N-(3-amino-2,2-dimethyl-prop-yl)-2-(hy-droxy-imino)-propanamide led to the formation of the dinuclear centrosymmetric copper(II) title complex, (C8H18N3O2)2[Cu2(C8H15N3O2)2(C8H17N3O2)2](C9H16N3O4)2·2CH3CN, in which an inversion center is located at the midpoint of the Cu2 unit in the center of the neutral [Cu2(C8H15N3O2)2(C8H17N3O2)2] complex fragment. The Cu(2+) ions are connected by two N-O bridging groups [Cu?Cu separation = 4.0608?(5)?Å] while the Cu(II) ions are five-coordinated in a square-pyramidal N4O coordination environment. The complex mol-ecule co-crystallizes with two mol-ecules of acetonitrile, two mol-ecules of the protonated ligand (E)-3-[2-(hy-droxy-imino)-propanamido]-2,2-dimethyl-propan-1-aminium and two negatively charged (E)-{3-[2-(hy-droxy-imino)-propanamido]-2,2-dimethyl-prop-yl}carbamate anions, which were probably formed as a result of condensation between (E)-N-(3-amino-2,2-dimethyl-prop-yl)-2-(hy-droxy-imino)-propanamide and hydro-gencarbonate anions. In the crystal, the complex fragment [Cu2(C8H15N3O2)2(C8H17N3O2)2] and the ion pair C8H18N3O2(+.)C9H16N3O4(-) are connected via an extended system of hydrogen bonds.

| S-EPMC3588739 | biostudies-literature

(Z)-3-(1-Hy-droxy-3-oxobut-1-en-yl)-6-nitro-2H-chromen-2-one.

Project description:In the title compound, C(13)H(9)NO(6), the coumarin system has the benzene ring aligned at 0.61 (18)° with respect to the pyrone ring. An intra-molecular O-H⋯O hydrogen bond stabilizes the mol-ecular conformation and a C-H⋯O contact also occurs. In the crystal, weak C-H⋯O inter-actions link the mol-ecules, forming inversion dimers.

| S-EPMC3569810 | biostudies-literature

Crystal structure of 3-(2,2-di-bromo-acet-yl)-4-hy-droxy-2H-chromen-2-one.

Project description:The title compound, C11H6Br2O4, is a new coumarin derivative obtained from the reaction of 3-acetyl-4-hy-droxy-2H-chromen-2-one with bromine in acetic acid. The hy-droxyl group in involved in an intra-molecular O-H?O hydrogen bond. In the crystal, ?-? inter-actions between the rings of the bicycle [inter-centroid distances = 3.498?(2) and 3.539?(2)?Å] pack mol-ecules into stacks along the b axis, and weak inter-molecular C-H?O hydrogen bonds further link these stacks into layers parallel to the ab plane.

| S-EPMC4384588 | biostudies-literature

3-Acetyl-4-hy-droxy-6,7-dimethyl-2H-chromen-2-one.

Project description:In the title coumarin derivative, C(13)H(12)O(4), the 2H-chromene ring system is essentially planar [maximum deviation = 0.047?(1)?Å]. An intra-molecular hydrogen bond is observed between the hy-droxy and the ketonic O atoms. In the crystal, pairs of inter-molecular C-H?O hydrogen bonds link inversion-related mol-ecules into dimers. Additional inter-molecular C-H?O hydrogen bonds further inter-connect these dimers into two-dimensional arrays incorporating R(2) (2)(9) ring motifs.

| S-EPMC3011552 | biostudies-literature

1-(5-Hy-droxy-2,2,8,8-tetra-methyl-2H,8H-pyrano[2,3-f]chromen-6-yl)-3-(4-meth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the biologically active title compound, C26H26O5, the pyran ring of the chromene unit adopts a half-chair conformation. The C=C double bond of the propenone unit exhibits a trans conformation and the carbonyl group is syn conformation to the double bond. The dihedral angle between the benzene ring and the benzopyran-one moiety is 31.54 (4)°. The mol-ecular structure is stabilized by an intra-molecular C=O⋯H-O hydrogen bond.

| S-EPMC3629519 | biostudies-literature

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