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3,3'-Bithio-phene.

ABSTRACT: The title compound, C(8)H(6)S(2), is disordered [occupancy ratio = 0.839 (2):0.161 (2)] and sits across a centre of symmetry. In the crystal, the mol-ecules are linked by a weak C-H⋯π inter-action.

SUBMITTER: Costa JC

PROVIDER: S-EPMC2983999 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2,2'-Bithio-phene-3,3'-dicarbonitrile.

Project description:The complete mol-ecule of the title compound, C(10)H(4)N(2)S(2), is generated by an inversion center situated at the mid-point of the bridging C-C bond. The bithio-phene ring system is planar [maximum deviation = 0.003 (2) Å] and the central C-C bond length is 1.450 (2) Å. There are no significant inter-molecular inter-actions in the crystal structure, which is stabilized by van der Waals inter-actions.

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3,3',5,5'-Tetra-bromo-2,2'-bithio-phene.

Project description:The title compound, C(8)H(2)Br(4)S(2), was prepared by bromination of 2,2'-bithio-phene with bromine. The mol-ecule is located on a crystallographic twofold rotation axis, thereby imposing equal geometry of the two thio-phene rings. Each five-membered ring is planar [maximum deviation 0.011?(9)?Å] and the dihedral angle between the planes through the rings is 47.2?(4)°. The mol-ecules are arranged to minimize intramolecular contacts between the 3-3' and 5-5'-bromine atoms.

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2,2'-(3,3'-Dihexyl-2,2'-bithio-phene-5,5'-di-yl)bis-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolane).

Project description:In the title mol-ecule, C(32)H(52)B(2)O(4)S(2), the two thio-phene rings are twisted by 67.34?(2)°. In the crystal, weak C-H?O hydrogen bonds link mol-ecules related by translation along the a axis into chains.

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Project description:The title compound, C(26)H(26)N(2)O(6)S·C(4)H(8)O, a solvated bis-amide derivative, is also a chiral amino acid ester with l-phenyl-alanine methyl ester groups as amine substituents. The thio-phene-2,5-dicarboxamide core approximates C(2) point symmetry. The tetra-hydro-furan solvent mol-ecule is linked to the main mol-ecule through an inter-molecular N-H?O hydrogen bond. The central ring makes dihedral angles of 90.0?(2) and 76.5?(2)° with the pendant rings.

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Dimethyl 3,3'-diphenyl-2,2'-[(S)-thio-phene-2,5-diylbis(carbonyl-aza-nedi-yl)]dipropano-ate.

Project description:The asymmetric unit of the title compound, C(26)H(26)N(2)O(6)S, contains two independent mol-ecules; each has twofold symmetry with the S atom and the mid-point of the C-C bond of the thio-phene ring located on a twofold rotation axis. In the two mol-ecules, the terminal benzene rings are oriented at dihedral angles of 65.8?(3) and 63.5?(3)° with respect to the central thio-phene rings. The meth-oxy-carbonyl group of one mol-ecule is disordered over two positions with site-occupancy factors of 0.277?(12) and 0.723?(12). Inter-molecular N-H?O hydrogen bonding is present in the crystal structure.

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Ethyl 2-(3,3-dibutyl-thio-ureido)-4,5,6,7-tetra-hydro-benzo[b]thio-phene-3-carboxyl-ate.

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2,3,4-Tribromo-thio-phene.

Project description:In the title compound, C(4)HBr(3)S, there are two essentially planar mol-ecules in the asymmetric unit. In the crystal structure, bifurcated C-H⋯Br hydrogen bonds link the mol-ecules into chains. Weak Br⋯Br inter-actions [Br⋯Br = 3.634 (4)-3.691 (4) Å] then lead to undulating sheets in the bc plane.

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Project description:The asymmetric unit of the title compound, C10H8N2S2, is composed of two independent half-mol-ecules, each residing on a center of symmetry. In the crystal, weak C-H?? inter-actions join the two symmetry-independent molecules together into interlinked chains parallel to [011]. The crystal structure was refined as a two-component pseudo-merohedral twin using the twin law 001 0-10 100. The refined domain fractions are 0.516?(3) and 0.484?(3).

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Thio-phene-2-carbonyl azide.

Project description:The title compound, C5H3N3OS, is almost planar (r.m.s. deviation for the ten non-H atoms = 0.018?Å) and forms an extended layer structure in the (100) plane, held together via hydrogen-bonding inter-actions between adjacent mol-ecules. Of particular note is the occurrence of RC-H?N(-)=N(+)=NR inter-actions between an aromatic C-H group and an azide moiety which, in conjunction with a complementary C-H?O=C inter-action, forms a nine-membered ring.

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2,5-Dihexyl-thio-phene 1,1-dioxide.

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