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

ABSTRACT: In the title chalcone derivative, C(18)H(18)O(5), the dihedral angle between the hy-droxy-substituted benzene ring and the trimeth-oxy-substituted benzene ring is 16.3 (1)°. The three meth-oxy groups are essentially coplanar with the benzene ring to which they are attached, with an r.m.s. deviation of 0.0208 Å. An intra-molecular O-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, weak C-H⋯O inter-actions link mol-ecules into helical chains along the b axis. These chains are connected into sheets parallel to the bc plane by further weak C-H⋯O inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3200911 | biostudies-literature |

REPOSITORIES: biostudies-literature

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

Project description:In the title mol-ecule, C22H20O5, the C=C bond of the central enone group adopts an E conformation. The dihedral angle formed by the benzene ring and the naphthalene ring system is 12.6 (4)°. The hy-droxy group attached to the naphthalene ring is involved in an intra-molecular O-H⋯O hydrogen bond. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into chains along [010]. In addition, π-π stacking inter-actions are present, with centroid-centroid distances of 3.6648 (15) and 3.8661 (15) Å between the benzene and two naphthalene rings.

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(E)-1-(4-Amino-phen-yl)-3-(2,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:Mol-ecules of the title amino-chalcone, C(18)H(19)NO(4), are twisted, with a dihedral angle of 11.26?(6)° between the 4-amino-phenyl and 2,4,5-trimeth-oxy-phenyl rings. The conformations of the three meth-oxy groups with respect to the benzene ring are slightly different. Two meth-oxy groups are almost coplanar with the attached benzene ring [C-O-C-C torsion angles of -1.45?(19) and 1.5?(2)°], while the third is (-)-synclinal with the attached benzene ring [C-O-C-C = -81.36?(17)°]. In the crystal structure, mol-ecules are stacked into columns along the b axis and mol-ecules in adjacent columns are linked by N-H?O hydrogen bonds into V-shaped double columns. Weak ?-? inter-actions are also observed, with a centroid-centroid distance of 3.7532?(8)?Å.

| S-EPMC3007376 | biostudies-literature

(2E)-1-(5-Chloro-thio-phen-2-yl)-3-(2,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C(16)H(15)ClO(4)S, the chloro-thio-phene and trimeth-oxy-phenyl rings make a dihedral angle of 31.12?(5)°. The C=C double bond exhibits an E conformation. In the crystal, C-H?O inter-actions generate bifurcated bonds, linking the mol-ecules into chains along the b axis.

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(E)-1-(2,5-Dimethyl-3-thien-yl)-3-(2,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(18)H(20)O(4)S, the thio-phene and benzene rings are oriented at a dihedral angle of 10.83?(11)°. The central chain makes dihedral angles of 1.86?(13) and 9.25?(12)° with the benzene and thio-phene rings, respectively. In the crystal, mol-ecules are linked through weak inter-molecular C-H?O inter-actions. ?-? inter-actions are also observed between the benzene rings with a centroid-centroid distance of 3.6832?(12)?Å. The slippage between the benzene rings is 0.956?Å.

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(E)-3-(4-Hy-droxy-3-meth-oxy-phen-yl)-1-(4-hy-droxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C16H14O4, there is an intra-molecular O-H?O hydrogen bond. The benzene rings are inclined to one another by 13.89?(9)°. The prop-2-en-1-one group is twisted slightly, the O=C-Car-Car (ar = aromatic) and C=C-C=O torsion angles being -10.4?(3) and -7.4?(3)°, respectively. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, forming chains along [100]. These chains are further linked by O-H?O hydrogen bonds, forming corrugated sheets lying parallel to (010). There are C-H?? inter-actions present within the sheets.

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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 α,β-unsaturated ketone unit and between the α,β-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

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

Project description:In the title compound, C(17)H(16)O(3), the carbonyl group is in an s-cis configuration with respect to the olefinic double bond. The dihedral angle between the two benzene rings is 2.85 (3)°. The prop-2-en-1-one bridge makes dihedral angles of 4.77 (4) and 4.15 (4)°, respectively, with the 2-hy-droxy-phenyl and 4-eth-oxy-phenyl rings. The eth-oxy group is coplanar with the attached phenyl ring [C(ar)-O-C-C = 179.72 (5)°]. An intra-molecular O-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal structure, mol-ecules are stacked in an anti-parallel manner to form columns along the b axis. The columnar structure is stabilized by C-H⋯π inter-actions involving the 2-hy-droxy-phenyl ring.

| S-EPMC3007889 | biostudies-literature

Crystal structure of (2E)-3-(3-eth-oxy-4-hy-droxy-phen-yl)-1-(4-hy-droxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C17H16O4, the dihedral angle between the benzene rings is 21.22?(1)° and the mean plane of the prop-2-en-1-one group makes dihedral angles of 10.60?(1) and 11.28?(1)°, respectively, with those of the hy-droxy-phenyl and eth-oxy-phenyl rings. The eth-oxy substituent forms a dihedral angle of 88.79?(2)° with the the prop-2-en-1-one group, which is found to be slightly twisted. In the crystal, phenolic O-H?O hydrogen bonds to the carbonyl O atom form a two-dimensional supra-molecular network structure lying parallel to (010).

| S-EPMC4257333 | biostudies-literature

1-(2-Hy-droxy-4-meth-oxy-phen-yl)-3-(4-methyl-phen-yl)prop-2-en-1-one.

Project description:The mol-ecule of the title compound, C(17)H(16)O(3), exists in the E conformation with respect to the central C=C bond, is almost planar(r.m.s. deviation = 0.003?Å) and has an intra-molecular O-H?O hydrogen bond, which generates an S(6) ring. In the crystal, mol-ecules are linked by C-H?O inter-actions.

| S-EPMC3100019 | biostudies-literature

(E)-1-(Furan-2-yl)-3-(2,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title chalcone derivative, C(16)H(16)O(5), the dihedral angle between the furan and benzene rings is 2.06?(17)°. The two meth-oxy groups at the ortho and para positions are essentially coplanar with the benzene ring [C-O-C-C angles = -1.0?(5) and 178.5?(3)°], whereas the third one at the meta position is slightly twisted [C-O-C-C = 9.6?(5)°]. In the crystal, weak C-H?O inter-actions link the mol-ecules into a sheet parallel to ([Formula: see text]02). An inter-molecular ?-? inter-action between the furan and benzene rings is present [centroid-centroid distance = 3.772?(2)?Å]. A short C?C contact [3.173?(5)?Å] is also observed between neighbouring furan rings.

| S-EPMC3275007 | biostudies-other

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