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[3-Bromo-2-(3-fluoro-benz-yloxy)phen-yl]boronic acid.

ABSTRACT: In the title compound, C(13)H(11)BBrFO(3), the dioxy-boron fragment is close to co-planar with the benzene ring to which the B atom is connected [dihedral angle = 8.96 (4)°]. The dihedral angle between the two benzene rings is 14.8 (2)°. One of the OH groups is engaged in an intra-molecular O-H⋯O hydrogen-bonding inter-action. The second OH group is involved in inter-molecular hydrogen bonding, forming a centrosymmetric dimer. The F atom and the corresponding meta-H atom are disordered over two positions in a 0.675 (6):0.325 (6) ratio.

SUBMITTER: Kacprzak K

PROVIDER: S-EPMC2969934 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(2E)-3-[4-(Benz-yloxy)phen-yl]-1-(2,6-dichloro-3-fluoro-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C22H15Cl2FO2, a chalcone derivative featuring a threefold-halogenated aromatic substituent, the conformation about the C=C bond is E. In the crystal C-H⋯F and C-H⋯Cl contacts connect the mol-ecules into undulating sheets parallel to (101). In addition, C-H⋯π inter-actions are also present.

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[3,5-Bis(benz-yloxy)phen-yl]methanol.

Project description:In the title compound, C(21)H(20)O(3), the two terminal phenyl rings are each approximately perpendicular to the central benzene ring, making dihedral angles of 84.40 (16) and 75.12 (15)°. The H atom of the hydr-oxy group is disordered over two positions with equal occupancies. The mol-ecules are linked by O-H⋯O hydrogen bonds, forming a chain along the a axis.

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N-[3-Chloro-4-(3-fluoro-benz-yloxy)phen-yl]-6-iodo-quinazolin-4-amine.

Project description:In the title mol-ecule, C(21)H(14)ClFIN(3)O, the bicyclic ring system has a twisted conformation; the two fused rings form a dihedral angle of 4.5?(1)°. The dihedral angles between the fused ring system and the benzene rings are 27.3?(6) and 5.3?(5)° while the dihedral angle between the benzene rings is 22.0?(5)°. In the crystal structure, weak inter-molecular N-H?N hydrogen bonds link the mol-ecules into chains propagating in [100]. A short inter-molecular distance of 3.806?(3)?Å between the centroids of the fluorobenzene and iodobenzene rings suggests the existence of ?-? stacking inter-actions.

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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, ?-? stacking is observed between parallel benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.7459?(16)?Å].

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6-(4-Bromo-phen-yl)-2-(4-fluoro-benz-yl)imidazo[2,1-b][1,3,4]thia-diazole.

Project description:In the title compound, C(17)H(11)BrFN(3)S, the imidazothia-diazole and bromo-phenyl rings are individually almost planar, with maximum deviations of 0.0215?(4) and 0.0044?(4)?Å, respectively, and are inclined at an angle of 27.34?(3)° with respect to each other. The dihedral angle between the mean planes of the fluoro-benzyl and imidazothia-diazole rings is 79.54?(3)°. The crystal structure is stabilized by inter-molecular C-H?N inter-actions resulting in chains of mol-ecules along the b axis.

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4-[3-(Bromo-meth-yl)benz-yloxy]-3-methoxy-benzaldehyde.

Project description:In the title compound, C(16)H(15)BrO(3), the dihedral angle between the mean planes of the two benzene rings is 76.64?(2)°. In the crystal structure, there are weak ?-? stacking inter-actions, with a centroid-centroid distance of 3.724?(3)?Å, as well as an inter-molecular C?Br distance [3.495?(2)?Å] which is slightly less than the sum of the van der Waals radii for these atoms.

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1-[2-(3,5-Difluoro-benz-yloxy)phen-yl]ethanone.

Project description:In the title compound, C(15)H(12)F(2)O(2), the dihedral angle between the aromatic rings is 70.43 (4)°. The crystal packing exhibits no significantly short inter-molecular contacts.

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1-(4-Bromo-benz-yl)-2-(4-bromo-phen-yl)-1H-benzimidazole.

Project description:There are two mol-ecules in the asymmetric unit of the title compound, C20H14Br2N2. In the first, the dihedral angles between the mean plane of the benzimidazole group and those of the 4-bromo-benzyl and 4-chloro-phenyl groups are 50.72?(17) and 71.29?(16)°, respectively, while the corresponding angles in the second mol-ecule are 42.09?(16) and 89.05?(17)°. The 4-bromo-benzyl and 4-bromo-phenyl groups make an angle of 68.1?(2) and 85.1?(21)° with each other in the two mol-ecules. In the crystal, weak C-H?N and C-H?Br hydrogen bonds link the mol-ecules along the c-axis direction. Br?Br inter-actions [3.5733?(9)Å] are also observed.

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3-Bromo-9-(4-fluoro-benz-yl)-9H-carbazole.

Project description:The title compound, C(19)H(13)BrFN, was synthesized by N-alkyl-ation of 1-chloro-methyl-4-fluoro-benzene with 3-bromo-9H-carbazole. The carbazole ring system is essentially planar (r.m.s. deviation of 0.024?Å for the non-H atoms) and forms a dihedral angle of 88.2?(3)° with the benzene ring.

| S-EPMC2969443 | biostudies-literature

Bis{1-[4-(benz-yloxy)phen-yl]-4,4,4-tri-fluoro-butane-1,3-dionato(1-)}dipyri-dine-cobalt(II).

Project description:In the title compound, [Co(C(17)H(12)F(3)O(3))(2)(C(5)H(5)N)(2)], the Co(II) ion is situated on a twofold rotation axis, coordinated by four O atoms from two 1-[4-(benz-yloxy)phen-yl]-4,4,4-trifluoro-butane-1,3-dionate(1-) (L) ligands and two N atoms from two pyridine ligands in a distorted octa-hedral geometry. The two pyridine rings form a dihedral angle of 84.63?(7)°. The two benzene rings in L are twisted at 58.83?(5)°. Weak inter-molecular C-H?F hydrogen bonds consolidate the crystal packing.

| S-EPMC3247528 | biostudies-literature

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