In the context of the search for gasoline surrogates for kinetic modeling purpose, this paper describes a new model for the low-temperature auto-ignition of n-heptane/iso-octane/hexene/toluene blends for the different linear isomers of hexene. The model simulates satisfactory experimental results obtained in a rapid compression machine for temperatures ranging from 650 to 850 K in the case of b...

In the title mol-ecule, C(13)H(13)NS, the dihedral angle between the benzene ring and the fused pyrrole ring is 0.71 (8)° and the cyclo-hexene ring is in an envelope form. The (CH(2))(3) atoms of the cyclo-hexene ring are disordered over two positions; the site-occupancy factor for the major component refined to 0.862 (4). In the crystal, inter-molecular N-H⋯S hydrogen bonds lead to the formati...

Addition of 1-hexene to methylalumoxane-activated catalyst systems based on rac-Me(2)Si(ind)(2)ZrMe(2) causes, concurrent with polyhexene formation and diminution of the otherwise prevalent cation [rac-Me(2)Si(ind)(2)Zr(mu-Me)(2)AlMe(2)](+), formation of a hitherto unobserved species [rac-Me(2)Si(ind)(2)Zr(mu-R)(mu-Me)AlMe(2)](+), where R is a Zr-bound polyhexyl chain. As hexene is increasingly...

In the title compound, C(26)H(28)O(2), the central atoms are coplanar, with the -CH(2)-CH(2)- links of the cyclo-hexene groups lying to either side of the plane and with the diall-yloxy residues twisted out of this plane [C-C-O-C torsion angles = 16.6 (3) and -13.9 (3)°]. In the crystal structure, mol-ecules are connected into chains propagating in [100] via C-H⋯π inter-actions.

The six-membered N-heterocyclic ring of the title compound, C(17)H(15)ClN(2)O, is fused with a methyl-substituted cyclo-hexene ring. The approximately planar nitro-gen-bearing ring (r.m.s. deviation 0.019 Å) is aromatic, and the N atom shows a trigonal-planar coordination; its benzene substituent is aligned at 77.1 (1) °. The cyclo-hexene ring adopts a half-chair conformation. In the crystal, i...

In the title compound, C(25)H(18)Cl(2)N(2)O, the cyclo-hexene ring has a sofa conformation. All the substituents in the cyclo-hexene ring, except the cyano group (which is axial) occupy equatorial positions. The crystal structure is stabilized through N-H⋯O hydrogen bonds, forming a chain extending along the b axis and through C-H⋯N and C-H⋯Cl inter-actions. It is remarkable that only one of th...

In the title mol-ecule, C(13)H(13)NO, the dihedral angle between the benzene ring and the fused pyrrole ring is 2.03 (5)°. The methyl group at the 3-position has an equatorial orientation. The cyclo-hexene ring adopts an envelope conformation. Three C atoms of the cyclo-hexene ring, with their attached H atoms, and all atoms of the methyl group are disordered over two positions, the site-occupa...

In the title compound, C(24)H(23)FN(2)O(3), the cyclo-hexene ring adopts a screw-boat conformation. The fluorobenzene ring attached to the cyclo-hexene ring and the phenyl ring attached to the indazole moiety are inclined to one another by 57.77 (13)°. In the crystal, mol-ecules are linked by O-H⋯N and C-H⋯O hydrogen bonds, forming chains with C(5) and C(10) graph-set motifs. There are also C-H...

In the title compound, C(24)H(28)O(5), the two cyclo-hexene rings adopt envelope conformations, and the planes through the coplanar atoms makes dihedral angles of 82.86 (6) and 77.90 (6)° with the benzene ring. The two cyclo-hexene rings make a dihedral angle of 5.33 (6)° between their least-squares planes. The pyran ring adopts a flattened boat conformation. In the crystal packing, mol-ecules ...