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2-({4-[(1H-Imidazol-2-ylsulfanyl)methyl]-2,5-dimethylbenzyl}sulfanyl)-1H-imidazole.

ABSTRACT: The title compound, C(16)H(18)N(4)S(2), was prepared by the substitution reaction of two equivalents of 2-mercaptoimidazole for every bromine substituent of 1,4-bis-(bromo-meth-yl)-2,5-dimethyl-benzene. The mol-ecule is located on a crystallographic centre of inversion and therefore adopts a trans configuration with regards to the orientation of the two sulfur atoms. An inter-molecular N-H?N hydrogen bond forms layers of mol-ecules parallel to (03). The dihedral angle between the central and terminal rings is 174.8?(2)°.

SUBMITTER: Applewhite MJ

PROVIDER: S-EPMC3009242 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

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2-({4-[(1H-Imidazol-2-ylsulfanyl)methyl]-2,5-dimethylbenzyl}sulfanyl)-1H-imidazole.

Applewhite Malcolm J MJ Potts Storm V SV

Acta crystallographica. Section E, Structure reports online 20101009 Pt 11

The title compound, C(16)H(18)N(4)S(2), was prepared by the substitution reaction of two equivalents of 2-mercaptoimidazole for every bromine substituent of 1,4-bis-(bromo-meth-yl)-2,5-dimethyl-benzene. The mol-ecule is located on a crystallographic centre of inversion and therefore adopts a trans configuration with regards to the orientation of the two sulfur atoms. An inter-molecular N-H⋯N hydrogen bond forms layers of mol-ecules parallel to (03). The dihedral angle between the central and ter ...[more]

PMID: 21588954

Similar Datasets

Crystal structures of the two salts 2-methyl-1H-imidazol-3-ium nitrate-2-methyl-1H-imidazole (1/1) and 2-methyl-1H-imidazol-3-ium nitrate.

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| S-EPMC4910320 | biostudies-literature

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Project description:In the title molecule, C(6)H(6)N(4)S(2), a twofold rotation axis passes through the mid-point of the S-S bond. The C-S-S-C torsion angle is 83.62?(17)°. ?-? stacking between imidazole rings of adjacent mol-ecules is observed in the crystal structure, the centroid-centroid distance being 3.447?(2)?Å. Inter-molecular N-H?S hydrogen bonding results in the formation of a linear chain in the c-axis direction.

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Project description:In the mol-ecule of the title compound, C(12)H(10)N(4), the two imidazole substituents are related by inversion symmetry and each forms a dihedral angle of 25.02?(8)° with the benzene ring. In the crystal, mol-ecules are linked through N-H?N hydrogen bonds, forming cyclic units [graph-set R(4) (4)(28)], which generate a layered structure extending across (011).

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Methyl 2-[(tert-but-oxy-carbon-yl)amino]-3-(3-methyl-2-sulfanyl-idene-2,3-dihydro-1H-imidazol-1-yl)propano-ate.

Project description:In the title compound, C(13)H(21)N(3)O(4)S, the mean plane of the -N(H)-C(=O)-O- group of the carbamate unit forms a dihedral angle of 64.7?(2)° with the mean plane of the -C-C(=O)-O- group of the ester unit. In the crystal, mol-ecules are linked by N-H?O=C hydrogen bonds, forming chains along the c-axis direction.

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Chlorido-(2,2'-{[2-(1-methyl-1H-imidazol-2-yl-κN 3)imidazolidine-1,3-diyl-κN]bis-(methyl-ene)}bis-(1-methyl-1H-imidazole-κN 3))copper(II) perchlorate.

Project description:In the crystal structure of the title complex, [CuCl(C17H24N8)]ClO4, the copper(II) metal exhibits an N4Cl penta-coordinate environment in a distorted square-pyramidal geometry. Coordination to the metal centre occurs through the three 1-methyl-imidazole N atoms from the pendant groups, one amine N atom from the imidazolidine moiety and one chlorido anion. Inter-molecular inter-actions take place at two of the 1-methyl--imidazole rings in the form of parallel-displaced π-π stacking inter-actions forming chains parallel to the a axis. Three O atoms of the perchlorate anion are rotationally disordered between two orientations with occupancies of 0.5.

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3-[(1H-Benzimidazol-2-yl)sulfanyl-methyl]benzonitrile.

Project description:In the title compound, C(15)H(11)N(3)S, the dihedral angle between the benzimidazole ring system and the benzene ring is 51.8?(2)°. The crystal structure exhibits inter-molecular N-H?N hydrogen bonds which lead to the formation of C(4) chains along the [001] direction.

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Methyl 2-(2-methyl-4-nitro-1H-imidazol-1-yl)acetate.

Project description:In the crystal of the title compound, C7H9N3O4, mol-ecules are linked by weak C-H⋯O hydrogen bonds into chains along the a-axis direction. The dihedral angle between the ring and the nitro group is 3.03 (6), while that between the ring and the acetate group is 85.01 (3)°.

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N-{4-[4-(4-Fluoro-phen-yl)-1-(2-methoxy-ethyl)-2-methyl-sulfanyl-1H-imidazol-5-yl]-2-pyrid-yl}-2-methyl-3-phenyl-propionamide.

Project description:In the crystal structure of the title compound, C(28)H(29)FN(4)O(2)S, the imidazole ring makes dihedral angles of 11.85?(7), 73.33?(7) and 22.83?(8)° with the 4-fluoro-phenyl, pyridine and phenyl rings, respectively. The 4-fluoro-phenyl ring makes dihedral angles of 77.91?(7) and 26.93?(8)° with the pyridine and phenyl rings, respectively. The phenyl and pyridine rings are nearly perpendicular, making a dihedral angle of 86.47?(9)°. The crystal packing shows an inter-molecular N-H?O hydrogen-bonding inter-action between the N-H and carbonyl groups of the amide functions.

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