An x-ray structure analysis of tropolone

Crystal structure of 3,5,7-tris(morpholinomethyl)tropolone·0.67 hydrate, C22H33N3O5·0.67H2O

“…The title compound consists of a tropolone core with three methyl morpholine moieties bound to it at C3, C5 and C7 of the backbone, with additional water (0.67 occupancy) completing the asymmetric unit, as shown in the gure. Earlier in the 1970′s, Shimanouchi et al reported the molecular structure of tropolone [10,11]. When comparing this structure to that of tropolone, some slight deviations were observed within the tropolone core.…”

The crystal and molecular structure of 2-hydroxy-4-methoxy-4'-chlorobenzophenone (HMCB)

“…The unit cell of the structures of HMB and HMCB, and the layered packing of the eight molecules, can be seen in participates in a system of conjugated double bonds (on, or close to, an aromatic ring) are formed of centrosymmetrically related pairs (allowed space groups PT, P2~/c, C2/c and Pbca), e.g. salicylic acid (Cochran, 1953), dibenzoylmethane (Williams, 1966), co-(p-toluoyl)-acetophenone enol (Kato, 1971), benzoylacetone (Semmingsen, 1972, genisteine (Breton et al, 1974), tropolone (Shimanouchi & Sasada, 1970), and also two derivatives of tropolone (Wiehager, 1975). The low photochemical reactivity of certain derivatives of benzophenone especially some with hydroxyl groups in the ortho position were studied by Beckett & Porter (1963).…”

Dynamic Hydrogen Disorder in Solid Tropolone. A Single-Crystal NMR Study of the Hydroxyl Deuterons

“…1 The angle between the associated principal axes of Q fl and x m , respectively z m , is {45Њ. In the molecular axes system x m , y m , z m , Eq.…”

“…We assume that the hydrogen graphically related, but magnetically inequivalent sites in the shift process is thermally activated with the correlation time unit cell, a single rotation of the crystal in the magnetic field t c given by Eq. [1], where the forward and backward jump B 0 around a suitably chosen axis would suffice, in principle, rate constants k 1,2 are to fully determine any traceless second-rank tensor such as a deuteron quadrupole coupling tensor. Tesche et al…”

“…The X-ray structure of the tropolone (C 7 O 2 H 6 ) shows that On substituting the hydroxyl proton of the tropolone molethe molecules are arranged as centrosymmetric hydrogencule with a deuteron (we will henceforth refer to such a bonded dimers (1,2). The lattice is well ordered and, in molecule as tropolone-d 1 ), essentially the same rate conparticular, no disorder in the position of the hydroxyl hydrostants for the hydrogen shift process are observed (8).…”