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6,8-Dibromo-quinoline.

ABSTRACT: The title mol-ecule, C(9)H(5)Br(2)N, is almost planar, with an r.m.s. deviation of 0.027 Å. The dihedral angle between the aromatic rings is 1.5 (3)°. In the crystal, π-π stacking inter-actions are present between the pyridine and benzene rings of adjacent mol-ecules [centroid-centroid distances = 3.634 (4) Å], and short Br⋯Br contacts [3.4443 (13) Å] occur.

SUBMITTER: Celik I

PROVIDER: S-EPMC3008997 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1-(6,8-Dibromo-2-methyl-quinolin-3-yl)ethanone.

Project description:Two independent mol-ecules,1 and 2, with similar conformations comprise the asymmetric unit in the title compound, C(12)H(9)Br(2)NO. The major difference between the mol-ecules relates to the relative orientation of the ketone-methyl groups [the C-C-C-C torsion angles are -1.7?(6) and -16.8?(6)° for mol-ecules 1 and 2, respectively]; in each case, the ketone O atom is directed towards the ring-bound methyl group. The crystal packing comprises layers of mol-ecules, sustained by C-H?O and ?-? {ring centroid(C(6)) of molecule 2 with NC(5) of molecule 1 [3.584?(3)?Å] and NC(5) of molecule 2 [3.615?(3)?Å]} interactions. C-H?Br contacts also occur.

| S-EPMC3201233 | biostudies-literature

6,8-Dibromo-5-hydr-oxy-4-oxo-2-phenyl-4H-chromen-7-yl acetate.

Project description:In the title compound, C(17)H(10)Br(2)O(5), the chromene ring is almost planar with minimal puckering [total puckering amplitude = 0.067?(4)?Å]. The dihedral angle between chromeme ring system and phenyl ring is 3.7?(2)°. The crystal structure is stabilized by intermolecular C-H?O inter-actions and an intramolecular O-H?O hydrogen bond also occurs.

| S-EPMC2968645 | biostudies-literature

2-[6,8-Dibromo-3-(4-hydroxy-cyclo-hexyl)-1,2,3,4-tetra-hydro-quinazolin-2-yl]-6-methoxy-phenol.

Project description:The title compound, C(21)H(24)Br(2)N(2)O(3), was synthesized by the condensation reaction of 3-methoxy-salicylaldehyde with 4-(2-amino-3,5-dibromo-benzyl-amino)cyclo-hexa-nol in a methanol solution. The dihedral angle between the two benzene rings is 76.4?(3)°. The cyclo-hexyl ring adopts a chair configuration. There is an intra-molecular O-H?N hydrogen bond which affects the solid state conformation of the mol-ecule. The crystal structure is stabilized by inter-molecular O-H?O hydrogen bonds, forming chains running along the b axis.

| S-EPMC2968568 | biostudies-literature

4-[6,8-Dibromo-2-(2-chloro-5-nitro-phen-yl)-1,2,3,4-tetra-hydro-quinazolin-3-yl]cyclo-hexa-nol.

Project description:The title compound, C(20)H(20)Br(2)ClN(3)O(3), was synthesized by the condensation reaction of 2-chloro-5-nitro-benzaldehyde with 4-(2-amino-3,5-dibromo-benzyl-amino)cyclo-hexa-nol in a methanol solution. There are two independent mol-ecules in the asymmetric unit and in one mol-ecule the atoms of the cyclo-hexane ring are disordered over two sets of sites with refined occupancies of 0.657?(12) and 0.343?(12). The dihedral angle between the two benzene rings is 89.5?(2)° in one mol-ecule and 82.9?(2)° in the other. In the crystal structure, inter-molecular N-H?O and O-H?O hydrogen bonds link the mol-ecules into chains propagating along [01].

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2-[6,8-Dibromo-3-(4-hy-droxy-cyclo-hex-yl)-1,2,3,4-tetra-hydro-quinazolin-2-yl]phenol methanol 0.25-solvate.

Project description:The title compound, C(20)H(22)Br(2)N(2)O(2)·0.25CH(4)O, was synthesized by the condensation reaction of salicyl-aldehyde with 4-(2-amino-3,5-dibromo-benzyl-amino)-cyclo-hexa-nol in methanol. There are four independent main mol-ecules and two half-occupied methanol solvent mol-ecules in the asymmetric unit. The dihedral angles between the two benzene rings in the four mol-ecules are 87.8?(6), 86.6?(6), 89.3?(6) and 83.1?(6)°. Each mol-ecule features an intra-molecular O-H?N hydrogen bond and a short N-H?Br link. In the crystal components are linked by O-H?O hydrogen bonds.

| S-EPMC3099869 | biostudies-other

Poly[[[[1-ethyl-6,8-difluoro-7-(3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxyl-ato]cadmium]-?-benzene-1,4-dicarboxyl-ato] trihydrate].

Project description:In the title layered coordination polymer, {[Cd(C(17)H(18)F(2)N(3)O(3))(C(8)H(4)O(4))]·3H(2)O}(n), the Cd(II) atom exhibits a very distorted CdO(6) octa-hedral geometry defined by one O(3),O(4)-bidentate 1-ethyl-6,8-difluoro-7-(3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxyl-ate (lome) ligand, one O,O'-bidentate benzene-1,4-dicarboxyl-ate (bdc) dianion and two O-monodentate bdc dianions. Both the bdc species in the asymmetric unit are completed by crystallographic inversion symmetry. The bridging bdc dianions link the cadmium nodes into a recta-ngular grid lying parallel to (01). A network of N-H?O and O-H?O hydrogen bonds helps to establish the packing.

| S-EPMC3009166 | biostudies-literature

9,10-Dibromo-phenanthrene.

Project description:The mol-ecule of the title compound, C(14)H(8)Br(2), is almost planar [maximum deviation 0.0355?(7)?Å] and possesses crystallographic twofold (C2) symmetry. In the crystal, the mol-ecules form face-to-face slipped anti-parallel ?-? stacking inter-actions along the c axis with an inter-planar distance 3.471?(7)?Å, centroid-centroid distances of 3.617?(5)-3.803?(6)?Å.

| S-EPMC3515267 | biostudies-literature

2,5-Dibromo-pyridine.

Project description:In the title compound, C(5)H(3)Br(2)N, C-H?N hydrogen-bonding inter-actions and Br?Br inter-actions [3.9418?(3) and 3.8986?(3)?Å] connect the mol-ecules into planar sheets stacked perpendicular to the b axis. In addition, pyrid-yl-pyridyl inter-sheet ?-? stacking inter-actions [centroid-centroid distance = 4.12?(1)?Å] result in a three-dimensional network.

| S-EPMC2969055 | biostudies-literature

4-Bromo-methyl-7-methyl-6,8-dinitro-coumarin.

Project description:The crystal structure of the title compound, C(11)H(7)BrN(2)O(6), establishes the substitution positions of the nitro groups from the nitration reaction of 7-methyl-4-bromo-methyl coumarin. The mean planes of the nitro groups form dihedral angles of 43.9?(8) and 52.7?(10)° with the essentially planar [maximum deviation 0.031?(6)?Å] benzopyran ring system.

| S-EPMC2970501 | biostudies-literature

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].

| S-EPMC2983982 | biostudies-literature

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