Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 6 (June 2007)

organic compounds

 

2,2-Dimethyl-5-nitroso-1,3-dioxan-5-yl benzoate, 2,2-dimethyl-5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate and 5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate

G. Calvet, N. Blanchard, C. Kouklovsky and R. Guillot

Abstract: The crystal structures of 2,2-dimethyl-5-nitroso-1,3-dioxan-5-yl benzoate, C₁₃H₁₅NO₅, (I), 2,2-dimethyl-5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate, C₁₃H₁₄ClNO₅, (II), and 5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate, C₁₁H₁₁NO₅, (III), have been determined in order to gain insight into the conformational preference of -benzoyloxynitroso. Unfavourable 1,3-diaxial interactions force (I) and (II) to crystallize in the 2,5 twist-boat conformation, whereas compound (III), lacking this destabilizing interaction, crystallizes in the chair conformation.

Formula: C₁₃H₁₅NO₅, C₁₃H₁₄ClNO₅ and C₁₁H₁₁NO₅

	Structure factor file (CIF format) (94.4 kbytes) [ doi:10.1107/S0108270107021804/ga3047Isup2.hkl ] Contains datablock I
	Structure factor file (CIF format) (115.1 kbytes) [ doi:10.1107/S0108270107021804/ga3047IIsup3.hkl ] Contains datablock II
	Structure factor file (CIF format) (65.8 kbytes) [ doi:10.1107/S0108270107021804/ga3047IIIsup4.hkl ] Contains datablock III

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

Copyright © International Union of Crystallography
IUCr Webmaster