| An unusual methylene aziridine refined in P2(1)/c and the nonstandard setting P2(1)/n. | |
| | |
MedLine Citation:
|
PMID: 19966448 Owner: NLM Status: MEDLINE |
Abstract/OtherAbstract:
|
The unusual methylene aziridine 6-tert-butyl-3-oxa-2-thia-1-azabicyclo[5.1.0]oct-6-ene 2,2-dioxide, C(9)H(15)NO(3)S, was found to crystallize with two molecules in the asymmetric unit. The structure was solved in both the approximately orthogonal and the oblique settings of space group No. 14, viz. P2(1)/n and P2(1)/c, respectively. A comparison of these results clearly displayed an increase in the correlation between coordinates in the ac plane for the oblique cell. The increase in the corresponding covariances makes a significant contribution to the standard uncertainties of derived parameters, e.g. bond lengths. Since there is yet no CIF definition for the full variance-covariance matrix, there are clear advantages to reporting the structure in the nonstandard space-group setting. |
| | |
Authors:
|
George C Feast; James Haestier; Lee W Page; Jeremy Robertson; Amber L Thompson; David J Watkin |
Related Documents
:
|
21945458 - Sodium dl-α-tocopheryl-6-o-phosphate inhibits pge(2) production in keratinocytes induc... 8089838 - Crystallization of a hyperthermophilic archaeal elongation factor 1 alpha. 8289298 - Crystallization and preliminary crystallographic studies of saccharomyces cerevisiae al... 6527388 - Crystallization of and preliminary x-ray diffraction data for tet-repressor and the tet... 22903748 - Impact of metal cations on the electrocatalytic properties of pt/c nanoparticles at mul... 21973048 - Designed post-self-assembly structural and functional modifications of a truncated tetr... |
Publication Detail:
|
Type: Journal Article; Research Support, Non-U.S. Gov't Date: 2009-11-18 |
Journal Detail:
|
Title: Acta crystallographica. Section C, Crystal structure communications Volume: 65 ISSN: 1600-5759 ISO Abbreviation: Acta Crystallogr C Publication Date: 2009 Dec |
Date Detail:
|
Created Date: 2009-12-07 Completed Date: 2010-01-12 Revised Date: - |
Medline Journal Info:
|
Nlm Unique ID: 8305826 Medline TA: Acta Crystallogr C Country: Denmark |
Other Details:
|
Languages: eng Pagination: o635-8 Citation Subset: IM |
Affiliation:
|
Department of Chemistry, Chemistry Research Laboratory, University of Oxford, Mansfield Road, Oxford OX1 3TA, England. |
Export Citation:
|
APA/MLA Format Download EndNote Download BibTex |
| MeSH Terms | |
Descriptor/Qualifier:
|
Aza Compounds
/
chemistry* Aziridines / chemistry* Crystallography, X-Ray Models, Molecular Oxides / chemistry* Stereoisomerism |
| Chemical | |
Reg. No./Substance:
|
0/6-tert-butyl-3-oxa-2-thia-1-azabicyclo(5.1.0)oct-6-ene 2,2-dioxide; 0/Aza Compounds; 0/Aziridines; 0/Oxides |
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
Previous Document: 4-Methoxy-1-naphthol: chains formed by O-H...O hydrogen bonds and pi-pi stacking interactions.
Next Document: Hydrogen bonding and pi-pi interactions in 1-benzofuran-2,3-dicarboxylic acid and its 1:1 cocrystals...