50 research outputs found
Ethyl 5-hydroxy-6-oxo-4-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylate
In the title molecule, C16H14O4S, the dihydrocyclopentathiophenone ring system is almost planar, with an r.m.s. deviation of 0.060 Å from the best fit plane through all nine non-H atoms. The cyclopentanone ring adopts a severely flattened envelope conformation with the C atom carrying the OH and ethylcarboxylate substituents at the flap. This atom lies only 0.185 (3) Å from the plane through the other four C atoms. The phenyl substituent is inclined at 43.37 (5)° to the dihydrocyclopentathiophenone mean plane. In the crystal, molecules are linked by pairs of O—H⋯O hydrogen bonds, forming inversion dimers with R
2
2(10) ring motifs. Weak C—H⋯O hydrogen bonds also link molecules into chains along c, while an approximately orthogonal set of C—H⋯O contacts form chains along b, resulting in layers lying parallel to (100). Inversion dimers also form through weaker R
2
2(12) C—H⋯S contacts, which combine with C—H⋯O contacts to form stacks along b
1,4-Bis(iodomethyl)benzene
The centrosymmetric title compound, C8H8I2, was prepared by metathesis from the dibromo analogue. In the crystal structure, weak C—H⋯I interactions link the molecules into stacks down the b axis. The structure is further stabilized by short I⋯I contacts [3.8433 (2) Å], forming undulating sheets in the (101) plane
6-Hydroxy-5,7,8-trimethylchroman-2-one
The title compound, C12H14O3, consists of a chromanone unit with an –OH substituent at the 4-position and methyl substituents on the remaining C atoms of the aromatic ring. The fused pyranone ring adopts a distorted envelope conformation with the methylene group adjacent to the carbonyl carbon as the flap atom. The crystal structure is stabilized by classical O—H⋯O hydrogen bonds and weak C—H⋯O and C—H⋯π interactions, generating a three-dimensional network
3,3′-Diphenyl-1,1′-[2,2′-oxybis(2,1-phenylene)]diurea N,N-dimethylformamide disolvate
In the structure of the title compound, C26H22N4O3·2C3H7NO, one of the DMF solvent molecules is disordered over two sets of positions in a 0.5:0.5 ratio. In the 1,1′-[2,2′-oxybis(2,1-phenylene)]bis(3-phenylurea) molecule, the two diphenylurea segments are linked via an ether O atom and are inclined at an angle of 53.80 (4)° to one another. In the crystal structure, classical N—H⋯O hydrogen bonds link each molecule to two DMF solvent molecules and these aggregates form columns down a through C—H⋯π interactions. Additional C—H⋯O interactions link the main molecule and the solvent molecules, forming columns of independent zigzag chains along b
Gel actuators based on polymeric radicals
Low-voltage electrochemical actuation of radical polymer gels has been demonstrated in an organic electrolyte. Polymer gels were prepared by post-modification of active-ester precursor gels with an amine-functionalised radical. A combination of few-layer graphene and multiwall carbon nanotubes gave high conductivity and improved actuation in the gels, with 32% linear actuation. The actuator system showed good stability over at least 10 cycles, showing its promise. The cycle time was several hours due to mass-transport limited transport of ions and solvent into the device
2-Methyl-4,6-bis(1-methylhydrazino)pyrimidine
In the title compound, C7H14N6, the amine groups of the two methylhydrazino substituents are orientated in the opposite direction to the methyl substituent at the 2-position of the pyrimidine ring. The molecule is almost planar with only the two amine N atoms lying substantially out of the mean plane of the pyrimidine ring [by 0.1430 (2) and 0.3092 (2) Å]. The H atoms on these amine groups point inwards towards the aromatic ring, such that the lone pair of electrons points outwards from the molecule. Each molecule is linked to two others through N—H⋯N hydrogen bonds between the two amino groups, forming a one-dimensional chain in the [010] direction. Offset face-to-face π–π stacking interactions between the pyrimidine rings organize these chains into a two-dimensional array [centroid–centroid distance = 3.789 (2) Å]
2,3,4-Tribromothiophene
In the title compound, C4HBr3S, there are two essentially planar molecules in the asymmetric unit. In the crystal structure, bifurcated C—H⋯Br hydrogen bonds link the molecules into chains. Weak Br⋯Br interactions [Br⋯Br = 3.634 (4)–3.691 (4) Å] then lead to undulating sheets in the bc plane
N-Methacryloyl-4-(piperidin-1-yl)-1,8-naphthalimide
In the title compound, C21H20N2O3, the naphthalimide unit is almost planar (r.m.s. deviation for the 15 non-H atoms = 0.059 Å). The carboximide N atom and the five C atoms of the 2-methylprop-2-enoyl substituent also lie in a plane (r.m.s. deviation = 0.009 Å), which subtends an angle of 84.34 (7)° to the naphthalamide plane. This orients the =CH2 group of the vinyl fragment towards the naphthalimide rings, giving the molecule an extended configuration. The piperidine ring adopts a chair conformation and there is evidence for some delocalization between the naphthalene and piperidine units, the C—Npip bond length being 1.404 (4) Å. In the crystal structure, π–π contacts with centroid–centroid distances of 3.5351 (18) and 3.7794 (18) Å supported by C—H⋯O hydrogen bonds link adjacent molecules in a head-to-tail fashion, forming dimers. These are further stabilized by other C—H⋯O contacts of varying strength, which stack the molecules down the b axis
N-(1-Acryloyl-2,2,6,6-tetramethylpiperidin-4-yl)acrylamide
The title compound, C15H24N2O2, crystallizes with two unique molecules, (I) and (II), in the asymmetric unit, differing in the orientation of the acryloyl units with respect to the piperidine rings. The acrylamide units are essentially planar in both molecules (r.m.s. deviations = 0.042 and 0.024 Å, respectively), as are the C3N chains of the acryloyl units. The carbonyl O atoms of the acryloyl systems lie significantly out of these planes, viz. by −0.171 (9) Å for molecule (I) and by 0.33 (1) Å for molecule (II). The acrylamide and acryloyl planes are inclined at 68.7 (4)° and 59.8 (3)° in the two molecules. The piperidine rings each adopt twist boat conformations. In the crystal, strong N—H⋯O hydrogen bonds link the molecules into zigzag C(4) chains along b. Additional C—H⋯O contacts result in the formation of stacks along a
4,5-Dihydrocyclopenta[b]thiophen-6-one
The title compound, C7H6OS, crystallizes with two similar molecules, 1 and 2, in the asymmetric unit. Both molecules are essentially planar with r.m.s. deviations of 0.0193 and 0.0107 Å for the planes through the nine non-H atoms of molecules 1 and 2, respectively. The thiophene and 4,5-dihydrocyclopentadienone rings are inclined at 2.40 (13)° in 1 and 0.64 (13)° in 2. In the crystal structure π–π [3.6542 (17) Å] and C—H⋯π contacts stack the molecules into columns in an inverse fashion along the b axis. An extensive series of C—H⋯O hydrogen bonds links the columns, generating an extended network structure