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

ABSTRACT: 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.

SUBMITTER: Novina JJ

PROVIDER: S-EPMC3414987 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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).

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2,5-Diamino-thio-phene-3,4-dicarbonitrile.

Project description:In the title compound, C(6)H(4)N(4)S, the planar mol-ecule lies across a crystallographic mirror plane. In the crystal, the mol-ecules form centrosymmetric dimers through cyclic amino N-H⋯N hydrogen-bonding associations with cyano N-atom acceptors [graph set R(2) (2)(12)] and these dimers are extended through amine-cyano N-H⋯N associations into a three-dimensional network.

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Project description: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.

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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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Project description:In the title compound, C(11)H(12)N(4)S, the thio-phene ring is roughly planar, with a maximum deviation of 0.012?(1)?Å for the S atom, and makes a dihedral angle of 7.89?(8)° with the mean plane of the piperidine ring, which is in a chair conformation. The crystal packing is stabilized by pairs of centrosymmetric inter-molecular N-H?N hydrogen bonds, which results in the formation of a step-wise chain parallel to [10[Formula: see text]].

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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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6-Amino-5-(1-amino-2,2-dicyano-vin-yl)-3,3a,4,5-tetra-hydro-2H-indene-4-spiro-1'-cyclo-pentane-3a,7-dicarbonitrile-thio-phene-2-carbaldehyde (1/0.5).

Project description:In each of the two independent indene-4-spiro-pentane mol-ecules in the asymmetric unit of the title 2:1 adduct, C(19)H(18)N(6)·0.5C(5)H(4)OS, the cyclo-hexene ring adopts a half-chair conformation and the cyclo-pentene and cyclo-pentane rings adopt envelope conformations. The mean plane through the cyclo-hexene/cyclo-pentene fused system is aligned at a dihedral angle of 77.9?(1)° with respect to the mean plane through the cyclo-pentane ring in one mol-ecule and 87.0?(1)° in the other. In the crystal, adjacent indene-4-spiro-pentane mol-ecules are linked by N-H?N hydrogen bonds into a three-dimensional network. The spaces within the network are occupied by the thio-phene-2-carbaldehyde mol-ecules. The thio-phene-2-carbaldehyde unit is disordered over two positions of equal occupancy. The crystal studied was found to be a non-morohedral twin with two minor twin components of 18.4 and 9.7%.

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2,2'-Dihydroxybiphenyl-3,3'-di-carb-aldehyde dioxime.

Project description:The mol-ecule of the title compound, C(14)H(12)N(2)O(4), lies across a crystallographic inversion centre situated at the mid-point of the C-C intra-annular bond. The mol-ecule is not planar, the dihedral angle between the aromatic rings being 50.1 (1)°. The oxime group is in an E position with respect to the -OH group and forms an intra-molecular O-H⋯N hydrogen bond. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link mol-ecules into chains propagating along [001]. The crystal structure is further stabilized by inter-molecular stacking inter-actions between the rings [centroid-to-centroid distance = 3.93 (1) Å], resulting in layers parallel to the bc plane.

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