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Rac-2-Bromo-3-eth-oxy-1,3-bis-(4-methoxy-phen-yl)propan-1-one.

ABSTRACT: In the racemic (S,S/R,R) title compound, C(19)H(21)BrO(4), the two benzene rings are almost coplanar to each other, forming a dihedral angle of 3.58 (10)°. The crystal packing is strengthened by inter-molecular Br-O [2.9800 (16) Å] short contacts, which link the molecules into infinite one-dimensional chains along [001].

SUBMITTER: Fun HK

PROVIDER: S-EPMC2967939 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1,3-Bis(2-nitro-phen-oxy)propan-2-ol.

Project description:In the title compound, C(15)H(14)N(2)O(7), the planes of the two benzene rings form a dihedral angle of 33.16 (17)°. In the crystal, inter-molecular hydrogen bonds involveing the OH group and nitro O atoms link the mol-ecules into chains propagating along the a axis.

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threo-2-(2,6-Dimethoxy-phen-oxy)-1-(4-eth-oxy-3-methoxy-phen-yl)propane-1,3-diol.

Project description:In the crystal structure of the title compound, C(20)H(26)O(7), a lignin model compound, the asymmetric unit contains two mol-ecules which adopt almost identical overall conformations with some deviation in the region of the terminal hydroxyl groups. The two mol-ecules are linked by an inter-molecular O-H?O hydrogen bond. They also develop intra-molecular O-H?O hydrogen bonds.

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1-(2,6-Dihydr-oxy-4-methoxy-phen-yl)-3-phenyl-propan-1-one.

Project description:The title compound, C(16)H(16)O(4), a dihydro-chalcone, was isolated from the rhizomes of Etlingera littoralis. The mol-ecule is twisted with a dihedral angle of 71.69?(6)° between the two aromatic rings. The propanone unit makes dihedral angles of 4.07?(6) and 73.56?(7)°, respectively, with the 2,6-dihydroxy-4-methoxyphenyl and phenyl rings. The meth-oxy group is approximately coplanar with the attached benzene ring with a dihedral angle of 1.74?(10)°. An intra-molecular O-H?O hydrogen bond generates an S(6) ring motif. In the crystal, inter-molecular O-H?O hydrogen bonds link the mol-ecules into chains along [201]. A ?-? inter-action with a centroid-centroid distance of 3.5185?(6)?Å is also observed.

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3-(2-Bromo-eth-oxy)-4-(4-bromo-phen-yl)furan-5(2H)-one.

Project description:In the title compound, C(12)H(10)Br(2)O(3), the dihedral angle between the furan-5(2H)-one ring and the benzene ring is 1.2?(3)°. Two intra-molecular C-H?O inter-actions occur in the mol-ecule, both of which generate S(6) rings. The bromo-ethyl fragment is disordered over two sets of sites in a 0.773?(8):0.227?(8) ratio. In the crystal, inversion dimers linked by pairs of C-H?? inter-actions occur.

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2,3-Dibromo-1,3-bis-(4-chloro-phen-yl)propan-1-one.

Project description:In the title compound, C(15)H(10)Br(2)Cl(2)O, the terminal benzene rings make a dihedral angle of 31.1?(2)° with each other. In the crystal, mol-ecules are stacked along the a axis and consolidated by C-H?? inter-actions. Short Cl?Cl [3.1140?(17)?Å] and Br?Cl [3.4565?(13)?Å] contacts are observed.

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2,3-Dibromo-1,3-bis-(4-fluoro-phen-yl)propan-1-one.

Project description:In the title compound, C(15)H(10)Br(2)F(2)O, the dihedral angle between the two 3-fluoro-substituted benzene rings is 5.7 (5)°. The two bromine substituents on the chalcone moiety are close to anti as the Br-C-C-Br torsion angle is 176.9 (7)°. Weak C-Br⋯π inter-actions may contribute to the crystal stability.

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Bis{(R)-1-(3-amino-sulfonyl-4-meth-oxy-phen-yl)-N-[2-(2-eth-oxy-phen-oxy)eth-yl]propan-2-aminium} adipate tetra-hydrate.

Project description:The title compound, 2C20H29N2O5S(+)·C6H8O4 (2-)·4H2O, which was found to be optically active, is a relatively rare example of a chiral compound crystallizing in the triclinic crystal system. The dihedral angles between the phenyl rings of the cations are 60.03 (15) and 62.03 (16)°, while the C atoms of the anion are almost coplanar (r.m.s. deviation 0.085 Å) and all trans to each other. In the crystal, the components are connected by an extensive network of N-H⋯O and O-H⋯O hydrogen bonds. The sulfonamide groups link the cations into pairs via two N-H⋯O hydrogen bonds about the pseudo-inversion centre, leading to the formation of R 2 (2)(8) rings. The anions are stacked in between four cationic pairs. Pairs of water mol-ecules bridge the larger building units, forming hydrogen bonds with the remaining two O atoms of the anion.

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(2E)-3-{4-[(1H-1,3-Benzimidazol-2-yl)meth-oxy]-3-eth-oxy-phen-yl}-1-(4-bromo-phen-yl)prop-2-en-1-one monohydrate.

Project description:In the title compound, C(25)H(21)BrN(2)O(3)·H(2)O, the benzimidazole fragment and the water mol-ecule of crystallization are each disordered over two sets of sites of equal occupancy. The dihedral angles between the least-squares planes of the benzimidazole and the 3-eth-oxy- and 4-bromo-benzene rings are 86.9 (6) and 85.1 (1)°, respectively in one disorder component. The crystal packing is stabilized by inter-molecular O-H⋯O, O-H⋯N and N-H⋯N hydrogen bonds, which link the mol-ecules into chains along the a axis.

| S-EPMC3099940 | biostudies-literature

1-Bromo-2-(4-methoxy-phen-oxy)ethane.

Project description:In the crystal structure of the title compound, C(9)H(11)BrO(2), mol-ecules are stacked parallel to the b-axis direction, forming double layers in which the molecules are arranged head-to-head, with the bromo-methyl groups pointing towards each other.

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(E)-1-{4-[Bis(4-bromo-phen-yl)meth-yl]piperazin-1-yl}-3-(4-eth-oxy-3-meth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C(29)H(30)Br(2)N(2)O(3), the piperazine ring has a chair conformation and the C=C double bond has an E conformation. The dihedral angle between the bromo-benzene rings is 79.1?(3)°. In the crystal, mol-ecules are linked through C-H?O and C-H?Br hydrogen bonds.

| S-EPMC3254469 | biostudies-literature

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