The structure of molecular compounds. Part XIII. Crystal structure of the molecular compound of cis-dicyanotetra(methyl isocyanide)iron(II) with four molecular of chloroform

Transient kinetics of electron transfer reactions of flavodoxin: ionic strength dependence of semiquinone oxidation by cytochrome c, ferricyanide, and ferric EDTA and computer modeling of reaction complexes

“…Computer Graphics. Coordinates for the ferricyanide ion were derived from X-ray crystallographic data on structurally related compounds (Wilford et al, 1968). Although the rate of electron transfer between flavodoxin and cytochrome c has been studied by using C. pasteurianum flavodoxin and horse heart cytochrome c, computer graphics experiments were carried out by using coordinates derived from two closely related molecules, C. MP flavodoxin (Smith et al, 1977) and tuna cytochrome c (Swanson et al, 1977), whose coordinates were obtained from the Brookhaven Protein Data Bank (Bernstein et al, 1977).…”

Antischistosomal analogs of hycanthone. III. Structure of the 1:1 chloroform solvate of 8-chloro-2-[2-(diethylamino)ethyl]-2H-[1]benzothiopyrano[4,3,2-cd]indazole-5-methanol, C20H22ClN3OS.CHCl3

“…The observed average C(21)-C1 distance of 1.753 (3)A and average CI-C(21)-C1 angle of 110.6 (2) ° can be compared with 1.762 ]k and 110.9 ° obtained from a microwave investigation of chloroform (Wolfe, 1956). A survey of these parameters in chloroform-solvated complexes reveals that they range widely from 1.64 (3)A (Lauher & Ibers, 1974) to 1.83 (6)A (Watenpaugh & Caughlan, 1967) for C-CI; from 100(6) ° (Wilford, Smith & Powell, 1968) to 116 (2) ° (Lauher & Ibers, 1974) for CI-C-CI. Other pertinent parameters involving those for the chloroform molecule in the present structure are given in Table 2(b).…”

“…The structural role of this solvent is merely to occupy space in crystal lattices or to stabilize the compounds by forming weak H-bonds (van Soest & Peerdeman, 1970). In these structures, chloroform molecules were observed to have large thermal motion (Wilford, Smith & Powell, 1968;Preston & Kennard, 1969;Schaefer & Marsh, 1969;Park, Collins & Hoard, 1970;Lauher & Ibers, 1974;Wang, Huie & Schaefer, 1979), partially disordered configurations (Summerville, Cohen, Hatano & Scheidt, 1978;Johnson & Scheidt, 1978;Davis & Einstein, 1978), or both (Hall, Rae & Waters, 1967). In some cases, even the stoichiometric ratios of chloroform to compound were not precisely defined (Petterson, Birnbaum, Ferguson, Islam & Sime, 1968;Mason & Towl, 1970;Wang, Huie & Schaefer, 1979).…”