Abstract

<h2>Acta Crystallographica Section B</h2><h3>Structural Science</h3><h3>0108-7681</h3> <h2>research papers</h2> Volume 41 Part 4 Pages 270-274 August 1985 <h2>A statistical approach to the geometry of norbornane from X-ray data of substituted derivatives</h2> L. Doms, D. Van Hemelrijk, W. Van de Mieroop, A. T. H. Lenstra and H. J. Geise 270 Acta Cryst. (1985). B41, 270-274 A Statistical Approach to the Geometry of Norbornane from X-ray Data of Substituted Derivatives BY L. DOMS, D. VAN HEMELRIJK,* W. VAN DE MIEROOP, t A. T. H. LENSTRA AND H. J. GEISE* University of Antwerp ( UIA), Department of Chemistry, Universiteitsplein 1, B-2610 Wilrijk, Belgium (Received 9 December 1983; accepted 3 April 1985) Abstract From the Cambridge Crystallographic Data File the structures of norbornane derivatives were collected and the distributions of internal parameters (bond lengths, valence angles and torsion angles) analysed for the norbornane fragments. Comparison of the median values of these distributions with the gas- phase structure of free norbornane yields an excellent correspondence for angles but not for bond distances. The variance of the distributions of the different par- ameters is related to the force constant of the same parameter in free norbornane. Introduction Recently the gas-phase structure of norbornane§ (Fig. 1) has