1‐(4‐Chloro­phenyl­sulfanyl)‐2‐nitro‐4‐(tri­fluoro­methyl)­benzene and 1‐(4‐chloro­phenyl­sulfanyl)‐4‐nitro‐2‐(tri­fluoro­methyl)­benzene

Two chemical isomers of 3‐nitro­benzotrifluoride, namely 1‐(4‐chloro­phenyl­sulfanyl)‐2‐nitro‐4‐(tri­fluoro­methyl)­benzene, C₁₃H₇ClF₃NO₂S, (I), and 1‐(4‐chloro­phenyl­sulfanyl)‐4‐nitro‐2‐(tri­fluoro­methyl)­benzene, C₁₃H₇ClF₃NO₂S, (II), have been prepared and their crystal structures determined with the specific purpose of forming a cocrystal of the two. The two compounds display a similar conformation, with dihedral angles between the benzene rings of 83.1 (1) and 76.2 (1)°, respectively, but (I) packs in P while (II) packs in P2₁/c, with C—H⋯O interactions. No cocrystal could be formed, and it is suggested that the C—H⋯O associations in (II) prevent intermolecular mixing and promote phase separation.     

Hexakis(isopropylthio)-1,5-hexadien-3-yne and its fluorescent Ag(I) coordination polymers: assembly of helicates with thioether sites

A new thioether-rich ligand with a conjugated dienyne backbone and its fluorescent Ag(I) coordination networks have been synthesized and characterized by single crystal X-ray diffraction studies, which reveal that the supramolecular architectures of the networks contain assembled helicates with thioether sites.     

Conformational analysis of some dimethylheptanes with the aid of normal coordinate calculations

Infrared spectra were obtained for the series of 2,X-dimethylheptanes (X = 2,3,4,5,6) and were interpreted with the aid of normal coordinate calculations. 2,2-DMH exists as two conformers, with the C_s conformer being the only one present in the crystalline solid. 2,3-DMH exists in at least three conformations, all of C₁ symmetry. Ambiguities in spectral data indicate that more conformations are present. Two C₁ conformations of 2,4-DMH were shown to be present, but an unassigned band may indicate the presence of a third conformer. The presence of at least four conformers, all of C₁ symmetry, was shown to be necessary to explain the spectrum of 2,5-DMH. Finally, 2,6-DMH was shown to exist as three conformers, of symmetries C_s, C₂, and C₁. Vibrational assignments were made for all the probable conformers of all five compounds.     

Observation of the A1A" state of isocyanogen

The A1A" state of isocyanogen, CNCN, is observed using photofragment fluorescence excitation spectroscopy in a room temperature cell and in a molecular beam. The spectra are highly congested, but progressions that correspond to the Franck-Condon active C-N-C bending vibration in the excited state are evident. Linewidth measurements indicate that the excited state lifetime is <10 ps. These measurements are consistent with previous ab initio calculations, which predicted a bent excited state with a short lifetime due to predissociation. Although we do not believe that we have observed the origin band of the electronic transition, we place an upper limit of 42,523 cm(-1) on the energy of the excited state zero point level.     

Synthesis of certain 5-substituted thieno[2,3-b]thiophene-2-sulfonamides and thieno[2,3-b]thiophene-2-sulfonamide 6,6-dioxides

A series of the title compounds were prepared for evaluation as inhibitors of carbonic anhydrase II. Oxidation of 5-substituted thieno[2,3-b]thiophene-2-sulfonamides provided the first examples of thiophene[2,3-b]thiophene-2-sulfonarnide 6,6-dioxides. These cyclic vinyl sulfones readily underwent addi tion to give predominately that 4,5-cis addition product.     

The crystal and molecular structure of 9-methylphenanthro[4,3-a]dibenzothiophene

The crystal structure of 9-methylphenanthro[4,3-a]dibenzothiophene, C₂₅H₁₆S, M_r = 348.47, has been determined. Monoclinic, P2₁/c, a = 11.364(3), b, = 14.257(3), c = 11.575(2)Å, β = 116.26(2)°, V = 1681.9(7)ų, Z = 4, D_x = 1.38 g/cc, MoKα radiation λ = .71069 Å, F(000) = 728, T = 163K, R = .0458 for 2330 reflections. The structure compares favorably with that of hexahelicene and methylated derivatives. The thiophene moiety increases the helical core radius and decreases the pitch with respect to hexahelicene and its derivatives.     

Improved Measurement of the Cabibbo-Kobayashi-Maskawa angle alpha using B0(B) --> rho+rho- decays

We present results from an analysis of B(0)B(0)--> rho(+)rho(-) using 232 x 10(6) Gamma (4S) --> BB decays collected with the BABAR detector at the PEP-II asymmetric-energy B factory at SLAC. We measure the longitudinal polarization fraction f(L) = 0.978 +/- 0.014(stat) + 0.021 / -0.029(syst) and the CP-violating parameters S(L)= -0.33 +/- 0.24(stat) + 0.08 / -0.14(syst) and C(L)= -0.03 +/- 0.18(stat) +/- 0.09(syst). Using an isospin analysis of B --> rhorho decays, we determine the unitarity triangle parameter alpha. The solution compatible with the standard model is alpha = (100 +/- 13) degrees.