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Monoclinic, C2/c, a= 19.28 (2), b= 7.78 (1), c=9.57 (1) A, p= 112.39 (10) °, C6HxlON, M= 113.16, Z=4, D,,=l.12, Dx= 1.133 g cm -3. The previously reported structure has been refined with new threedimensional intensities.

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SummaryAverage bond distances and bond angles in carboxylic esters with different substitution patterns have been derived by analyzing data from many crystal structures retrieved from the Cambridge Structural Database (CSD): Conformationa1 preferences in the attachment of substituents are found.In constructing molecular models it is frequently assumed that a given chemical grouping is adequately described by a standard set of bond distances and angles, together with certain conformational regularities. It is of interest to enquire how well this assumption actually holds for common chemical groupings. In the present study we take up the question for the ester group. A parallel study of the amide group has also been done 111.