The crystal and molecular structure of lauric acid (form A)

Abstract

one cycle is required even when the changes in coordinates are within their permitted range of exploration. The method does, however, converge rapidly with both centrosymmetric and non-centrosymmetric projections. In non-orthogonal projections there will be some interaction between the two positional parameters. This should not be serious provided the interaxial angle is not too different from 90 ° . The method has not yet been applied to such a projection so that the actual effect cannot be assessed.The structures so far refined have not involved large variations in the individual temperature factors but in all the cases where the new method has been used the greater part of the refinement of the temperature factor refinement has been completed in a single cycle, provided the overall temperature factor and the scaling factor were correct. It might be expected that the new method would deal more easily with large variations than the existing leastsquares methods, which tend to overestimate the reductions and underestimate the increases in temperature factors and necessarily need more than one cycle. Provided the coordinate refinement is well advanced there should be no problem of missing the 'hole'.There is no reason why the methods could not be extended to deal with three-dimensional data and anisotropic temperature coefficients except that the existing methods may well be adequate.It is considered that the methods will be most useful in two-dimensional work where there is a great deal of overlap which makes it very difficult to get the structure into the right 'hole' to start with.We are grateful to Prof. H. Form A 1 of laurie acid, C12tt2402, iS trlcllnlc, with a = 7"45, b = 5.40, c = 17.47 /~; c~ = 960 53', /~= 113 ° 8', and 7=81 ° 7'. The space group is Pi. The crystal is built of laurie acid dimers, which are packed together with the planes of all hydrocarbon chains parallel to each other (triclinie subcell), and with the carboxyl groups of one dimer adjacent to methyl groups of neighbouring dimers. The angle of tilt is 67 ° 20'.

Anhydrous copper(II) decanoate

“…These subcell dimensions are close to those reported in several other hydrocarbon chain compounds (see e.g. Lomer, 1963) and it is interesting that this close packing of the chains over part of their length is realized despite the distortion of some of them which is apparently necessary for the copper and oxygen atoms to achieve their favoured arrangement.…”

Chiral mono-N-substituted primary amides. I. Molecular packing modes

“…Close packing between parallel aliphatic chains has been observed in paraffins (Kitaigorodskii, 1973;Norman & Mathisen, 1961a,b;Mathisen, Norman & Pedersen, 1967), carboxylic acids (Lomer, 1963;Larssen &von Sydow, 1966;Malta, Celotti, Zanetti & Martelli, 1971), their esters (Aleby, 1968) and amides (Turner & Lingafelter, 1955a,b). The straight-chain aliphatic primary amides from propanamide to hexadecanamide (Turner & Lingafelter, 1955a,b) all pack with a distance of 4.1 A between parallel chains.…”

The crystal and molecular structure of β-thiophenic acid

“…lauric acid: about 16 ° (Lomer, 1963 ;Van(l, Morley & Lomer, 1951 ; see also Abrahamsson, 1959). The better crystalline dibasic acids have given the most complete data: fl succinic acid, 11½ ° (Broadley, Cruickshank, Morrison, Robertson & Shearer, 1959), glutaric acid, adipic acid and sebacic acid, -~ 30 °, 6 ° and 3 ° respectively (Morrison & l~obertson, 1949).…”