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Some relationships between bond lengths and angles in –COO − , –COOH and –COOCH 3 groups

1980; International Union of Crystallography; Volume: 36; Issue: 3 Linguagem: Inglês

10.1107/s0567740880003950

1600-8650

P.W. Borthwick,

X-ray Diffraction in Crystallography

Some systematic relationships between the bond lengths and angles o f C O O and C O O H groups are proposed. From structural data for 70 such groups (occurring in a variety of crystallographic environments) the validity of the relations is demonstrated, statistical tests being applied where possible. The analysis is then extended (100 groups) to methoxycarbonyl groups. It is concluded that although the groups considered undergo (often considerable) structural perturbation in their varied crystallographic environments these perturbations are not random but obey definite mathematical relationships.