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Redetermination of 2,4,6-tricyclo-hexyl-1,3,5-trioxane.

ABSTRACT: The title compound, C(21)H(36)O(3), was obtained by treatment of cyclo-hexa-necarbaldehyde with catalytic toluene-4-sulfonic acid monohydrate. This redetermination results in a crystal structure with significantly higher precision than the original determination [Diana & Ganis (1963 ?). Atti Accad. Naz. Lincei, 35, 80-88]. The asymmetric unit contains one sixth of the mol-ecule, the formula unit being generated by crystallographic 3m symmetry. In the mol-ecule, the trioxane and cyclo-hexane rings are in chair conformations. In the crystal structure, mol-ecules are linked by weak C-H?O hydrogen bonds along the [001] direction.

SUBMITTER: Moreno-Fuquen R

PROVIDER: S-EPMC2961819 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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Redetermination of 2,4,6-tricyclo-hexyl-1,3,5-trioxane.

Moreno-Fuquen Rodolfo R Rios Eunice E Paredes Rodrigo R Jaramillo Luz Marina LM Zukerman-Schpector Julio J

Acta crystallographica. Section E, Structure reports online 20080619 Pt 7

The title compound, C(21)H(36)O(3), was obtained by treatment of cyclo-hexa-necarbaldehyde with catalytic toluene-4-sulfonic acid monohydrate. This redetermination results in a crystal structure with significantly higher precision than the original determination [Diana & Ganis (1963 ▶). Atti Accad. Naz. Lincei, 35, 80-88]. The asymmetric unit contains one sixth of the mol-ecule, the formula unit being generated by crystallographic 3m symmetry. In the mol-ecule, the trioxane and cyclo-hexane ring ...[more]

PMID: 21202930

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