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1,2-Bis[5-(2,2'-dicyano-vinyl)-2-n-pentyl-3-thien-yl]-3,3,4,4,5,5-hexa-fluoro-cyclo-pent-1-ene: a new photochromic diaryl-ethene compound.

ABSTRACT: The title compound, C(31)H(26)F(6)N(4)S(2), is a new photochromic dithienylethene with dicyano-vinyl subsitituents. In the crystal structure, the mol-ecule adopts a photoactive anti-parallel conformation, with two n-pentyl groups located on opposite sides of the cyclo-pentene ring. The cyclo-pentene ring assumes an envelope conformation. The distance between the two reactive C atoms on the thio-phene rings is 3.834?(7)?Å. One of the n-pentyl groups is disordered over two positions; the site occupancy factors are ca 0.7 and 0.3.

SUBMITTER: Li M

PROVIDER: S-EPMC2960348 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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1,2-Bis[5-(2,2'-dicyano-vinyl)-2-n-pentyl-3-thien-yl]-3,3,4,4,5,5-hexa-fluoro-cyclo-pent-1-ene: a new photochromic diaryl-ethene compound.

Li Min M Pu Shou-Zhi SZ Fan Cong-Bin CB Le Zhang-Gao ZG

Acta crystallographica. Section E, Structure reports online 20080125 Pt 2

The title compound, C(31)H(26)F(6)N(4)S(2), is a new photochromic dithienylethene with dicyano-vinyl subsitituents. In the crystal structure, the mol-ecule adopts a photoactive anti-parallel conformation, with two n-pentyl groups located on opposite sides of the cyclo-pentene ring. The cyclo-pentene ring assumes an envelope conformation. The distance between the two reactive C atoms on the thio-phene rings is 3.834 (7) Å. One of the n-pentyl groups is disordered over two positions; the site occu ...[more]

PMID: 21201536

Similar Datasets

1,2-Bis[5-(4-cyano-phen-yl)-2-methyl-3-thien-yl]-3,3,4,4,5,5-hexa-fluoro-cyclo-pent-1-ene: a photochromic diaryl-ethene compound.

Project description:The mol-ecules of the title compound, C(29)H(16)F(6)N(2)S(2), a photochromic dithienylethene with 4-cyano-phenyl substituents, adopt an anti-parallel arrangement that is reponsible for photoactivity. The mol-ecule lies on a twofold rotation axis. The dihedral angle between the nearly planar cyclo-pentenyl and heteroaryl rings is 142.5?(3)°, and that between the heteroaryl and benzene rings is 22.4?(3)°. The distance between the heteroaryl rings of adjacent mol-ecules is 3.601?(2)?Å, indicating a ?-? interaction.

| S-EPMC2961168 | biostudies-literature

1-(2-Chloro-phen-yl)-2-(2-methyl-5-phenyl-3-thien-yl)-3,3,4,4,5,5-hexa-fluoro-cyclo-pent-1-ene: a new photochromic diaryl-ethene.

Project description:The title compound, C(22)H(13)ClF(6)S, is a hybrid diaryl-ethene derivative with one 3-thienyl substituent, and a Cl-substituted six-membered aryl unit bonded to the double bond of a hexa-fluoro-cyclo-pentene ring. In the crystal structure, the mol-ecule adopts a photo-active anti-parallel conformation that can undergo effective photocyclization reactions. The distance between the two reactive C atoms is 3.848?(3)?Å. The dihedral angles between the least-squares cyclo-pentene plane and those of the adjacent thio-phene and chloro-phenyl rings are 49.39?(8) and 59.88?(8)°, respectively. The F atoms are disordered over two positions, with site occupancy factors of 0.6 and 0.4.

| S-EPMC2961463 | biostudies-literature

Hexa-kis-(dimethyl sulfoxide-?O)nickel(II) bis-(2,2-dicyano-ethene-1,1-dithiol-ato-?S,S')nickelate(II).

Project description:The reaction of NiCl(2)·6H(2)O with sodium 2,2-dicyano-ethene-1,1-dithiol-ate [Na(2)(i-mnt)] in dimethyl sulfoxide produces the title complex, [Ni(C(2)H(6)OS)(6)][Ni(C(4)N(2)S(2))(2)]. There is half each of an [Ni(C(2)H(6)OS)(6)](2-) complex anion and an [Ni{(CH(3))(2)SO}(6)](2+) complex cation in the asymmetric unit. The i-mnt ligand coordinates in a bidentate manner to the Ni atom in the anion through the two chelating S atoms in an approximate square-planar geometry. The Ni atom in the complex cation has an octahedral coordination environment with six dimethyl sulfoxide mol-ecules as ligands.

| S-EPMC3254330 | biostudies-literature

3,3'-Dicyclo-pentyl-1,1'-(1,3-phenyl-enedimethyl-ene)dibenzimidazol-1-ium bis-(hexa-fluoro-phosphate).

Project description:In the title compound, C(32)H(36)N(4) (2+)·2PF(6) (-), the cation and the anions each have crystallographic twofold rotation symmetry. The benzimidazole ring is almost planar [r.m.s. deviation = 0.0161?(1)?Å] and makes a dihedral angle of 5.77?(4)° with its symmetry-related component and a dihedral angle of 80.96?(5)° with the central benzene ring. The cyclo-pentyl ring adopts a half-chair conformation. In the crystal, mol-ecules are linked into a three-dimensional network through C-H?F hydrogen bonds. A C-H?? inter-action is also observed.

| S-EPMC3379432 | biostudies-literature

Enantioselective Protonation of Radical Anion Intermediates in Photoallylation and Photoreduction Reactions of 3,3-Diaryl-1,1-dicyano-2-methylprop-1-ene with Allyltrimethylsilane.

Project description:Photoreactions of acetonitrile solutions of 3,3-diaryl-1,1-dicyano-2-methylprop-1-enes (1a-c) with allyltrimethylsilane (2) in the presence of phenanthrene as a photoredox catalyst and acetic acid as a proton source formed photoallylation (3) and photoreduction (4) products via photoinduced electron transfer pathways. When (S)-mandelic acid was used as the proton source, the reactions proceeded with 3.4 and 4.8 %ee for formation of 3 and 4, respectively. The results of studies of the effect of aryl ring substituents and several chiral carboxylic acids suggested that the enantioselectivities of the reactions are governed by steric controlled proton transfer in intermediate complexes formed by π-π and OH-π interactions of anion radicals derived from 1a-c and chiral carboxylic acids.

| S-EPMC6680834 | biostudies-literature

Bis(2-thien-yl)acetyl-ene.

Project description:The planar [maximum deviation 0.0066?(4)?Å] symmetrical mol-ecule of the title compound, C(10)H(6)S(2), lies across a crystallographic inversion centre. The thio-phene rings are rotationally disordered about the acetyl-ene bond, with the two pseudo inversion-related S atoms in 0.80:0.20 occupancy sites. The C C bond distance is 1.195?(9)?Å.

| S-EPMC2970215 | biostudies-literature

1-Butyl-pyridinium bis-(1,2-dicyano-ethene-1,2-dithiol-ato)nickelate(III).

Project description:The Ni(III) atom in the anion of the title complex, (C(9)H(14)N)[Ni(C(4)N(2)S(2))(2)], is coordinated by four S atoms of two maleonitrile-dithiol-ate ligands, and exhibits a square-planar coordination geometry.

| S-EPMC3246985 | biostudies-literature

Dimethyl 3,3'-[(4,5-dicyano-1,2-phenyl-ene)bis-(-oxy)]dibenzoate.

Project description:In the title compound, C(24)H(16)N(2)O(6), the dihedral angles between the central 4,5-dicyano-1,2-phenyl-ene unit [maximum deviation from planarity = 0.014?(4)?Å] and the pendant benzene rings are 73.62?(5) and 84.08?(6)°.

| S-EPMC3435642 | biostudies-literature

catena-Poly[[nickel(II)-?(3)-1,1-dicyano-ethene-2,2-dithiol-ato-?S,S':N:N'-bis-[(15-crown-5)magnesium(II)]-?(3)-1,1-dicyano-ethene-2,2-dithiol-ato-?N:N':S,S'] dichloride].

Project description:The reaction of MgCl(2), NiCl(2), and Na(2)(i-mnt) (i-mnt is 1,1-dicyano-thene-2,2-dithiol-ate) with 15-crown-5 (15-C-5) leads to an infinite chain polymer, {[NiMg(2)(C(4)N(2)S(2))(2)(C(10)H(20)O(5))(2)]Cl(2)}(n) or {[Mg(15-C-5)](2)[Ni(i-mnt)(2)]Cl(2)}(n), which consists of two [Mg(15-C-5)](2+) complex cations, one [Ni(i-mnt)(2)](2-) complex anion and two Cl(-) ions per formula unit. In the [Ni(i-mnt)(2)](2-) complex anion, Ni(2+) is located on a crystallographic mirror plane with a slightly distorted square-planar coordination by four S atoms. In the [Mg(15-C-5)](2+) complex cations, the Mg and one O atom of the crown lie on mirror planes and the Mg atoms are in sevenfold coordination environments of five O atoms from the crown and two N atoms from two i-mnt anions. The bridging of the two complexes via the Mg-N bonds leads to the formation of one-dimensional chains along the a axis.

| S-EPMC2915109 | biostudies-literature

1-(2-Fluoro-benzyl-ideneamino)pyridinium bis-(1,2-dicyano-ethene-1,2-dithiol-ato)nickelate(II).

Project description:In the title complex, (C(12)H(10)FN(2))(2)[Ni(C(4)N(2)S(2))(2)], the anion lies on an inversion center with the Ni(II) ion coordinated by four S atoms in a slightly distorted square-planar environment. In the unique cation, the dihedral angle between the benzene and pyridine rings is 7.1?(2)?Å.

| S-EPMC2977634 | biostudies-literature

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