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1,2,4,5-Tetra-fluoro-3,6-diiodo-benzene-4-(pyridin-4-ylsulfan-yl)pyridine (1/1).

ABSTRACT: The asymmetric unit of the title 1:1 adduct, C(10)H(8)N(2)S·C(6)F(4)I(2), comprises a half-mol-ecule of 1,2,4,5-tetra-fluoro-3,6-diiodo-benzene, and half a 4-(pyridin-4-ylsulfan-yl)pyridine mol-ecule. The former is completed by crystallographic inversion symmetry, the latter by twofold symmetry, with the S atom lying on the rotation axis. The almost planar 1,2,4,5-tetra-fluoro-3,6-diiodo-benzene mol-ecule (r.m.s. deviation of all 12 atoms = 0.016?Å) and twisted 4-(pyridin-4-ylsulfan-yl)pyridine mol-ecule [dihedral angle between pyridyl rings = 54.88?(13)°] are connected by N?I inter-actions [2.838?(4)?Å], generating a supra-molecular chain with a step-ladder topology. These chains are connected in the crystal by C-H?F and C-H??(pyrid-yl) inter-actions.

SUBMITTER: Arman HD

PROVIDER: S-EPMC2983392 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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1,2,4,5-Tetra-fluoro-3,6-diiodo-benzene-4-(pyridin-4-ylsulfan-yl)pyridine (1/1).

Arman Hadi D HD Kaulgud Trupta T Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20100930 Pt 10

The asymmetric unit of the title 1:1 adduct, C(10)H(8)N(2)S·C(6)F(4)I(2), comprises a half-mol-ecule of 1,2,4,5-tetra-fluoro-3,6-diiodo-benzene, and half a 4-(pyridin-4-ylsulfan-yl)pyridine mol-ecule. The former is completed by crystallographic inversion symmetry, the latter by twofold symmetry, with the S atom lying on the rotation axis. The almost planar 1,2,4,5-tetra-fluoro-3,6-diiodo-benzene mol-ecule (r.m.s. deviation of all 12 atoms = 0.016 Å) and twisted 4-(pyridin-4-ylsulfan-yl)pyridine ...[more]

PMID: 21587651

Similar Datasets

1,2,4,5-Tetra-fluoro-3,6-diiodo-benzene-2,3-bis-(pyridin-2-yl)pyrazine (1/1).

Project description:The components of the title 1:1 co-crystal, C(14)H(10)N(4)·C(6)F(4)I(2), are connected via an N?I [2.959?(4)?Å] halogen bond, in which the N atom is part of the relatively electron-rich pyrazine ring. The C(6)F(4)I(2) mol-ecule is almost planar [r.m.s. deviation = 0.038?Å] but there are significant twists in the pyrazine derivative, as seen in the dihedral angles [31.3?(2) and 54.6?(2)°] formed between the pendant pyridyl rings and the central pyrazine ring. The bimolecular aggregates are sustained in the crystal by C-H?F and ?-? inter-actions [ring centroid(pyrid-yl)-ring centroid(benzene) = 3.678?(3)?Å].

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Project description:The asymmetric unit of the title co-crystal adduct, C(6)H(4)O(2)·C(6)F(4)I(2), comprises a half-mol-ecule each of cyclo-hexa-2,5-diene-1,4-dione and 1,2,4,5-tetra-fluoro-3,6-diiodo-benzene. The C(6)F(4)I(2) mol-ecule is almost planar (r.m.s. deviation = 0.0062?Å). In the crystal, the components are connected through O?I halogen bonds [3.017?(11)?Å], leading to the formation of wavelike chains along the a axis. The crystal packing also features C-H?F inter-actions.

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[5,11,17,23-Tetra-tert-butyl-25,27-(3,6-dioxaoctan-1,8-di-oxy)-26,28-bis-(pyridin-2-ylmeth-oxy)calix[4]arene]sodium iodide-1,2,4,5-tetra-fluoro-3,6-diiodo-benzene-methanol (2/3/4).

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(3,6-Dimethyl-1,2,4,5-tetra-zine-1,4-di-yl)bis-[(morpholin-4-yl)methanone].

Project description:In the title mol-ecule, C(14)H(22)N(6)O(4), the amide-substituted N atoms of the tetra-zine ring deviate from the approximate plane of the four other atoms in the ring by 0.160?(2) and 0.243?(2)?Å, forming a slight boat conformation. The morpholine rings are in chair conformations.

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Crystal structure of 3,6-bis-(pyridin-2-yl)-1,4-di-hydro-1,2,4,5-tetra-zine.

Project description:The structure of the title compound, C12H10N6, at 100?K has monoclinic (P21/n) symmetry. Crystals were obtained as a yellow solid by reduction of 3,6-bis-(pyridin-2-yl)-1,2,4,5-tetra-zine. The structure displays inter-molecular hydrogen bonding of the N-H?N type, ordering mol-ecules into infinite ribbons extending along the [100] direction.

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Project description:The title compound, C(19)H(18)FN(3)O(2)S, was synthesized in the course of studies on 2-alkyl-sufanylimidazoles as p38 mitogen-activated protein kinase inhibitors. The synthesis was achieved by nucleophilic substitution of 4-(4-fluoro-phen-yl)-5-(pyridin-4-yl)-1,3-dihydro-imidazole-2-thione with methyl 4-bromo-butanoate. The five-membered heterocycle makes dihedral angles of 32.4?(2) and 18.3?(2)° with the fluoro-phenyl and pyridinyl rings, respectively, indicating a low degree of conjugation between these rings. Intra-molecular C-H?N and inter-molecular N-H?N hydrogen bonds as well as C-H?? inter-actions seem to be effective in stabilization of the crystal structure.

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