Source:http://linkedlifedata.com/resource/pubmed/id/16477682
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| Predicate | Object |
|---|---|
| rdf:type | |
| lifeskim:mentions | |
| pubmed:issue |
3
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| pubmed:dateCreated |
2006-3-27
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| pubmed:abstractText |
Studies on the solid-state structure of two polymorphs of 4-methyl-2-nitroacetanilide (MNA) were conducted using magic-angle spinning (13)C, (15)N and (1)H NMR spectroscopy, together with first-principles computations of NMR shielding (including use of a program that takes explicit account of the translational symmetry inherent in crystalline structures). The effects on (13)C chemical shifts of side-chain rotations have been explored. Information derived from these studies was then incorporated within a systematic space-search methodology for elucidation of trial crystallographic structures from powder XRD.
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| pubmed:language |
eng
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| pubmed:journal | |
| pubmed:status |
PubMed-not-MEDLINE
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| pubmed:month |
Mar
|
| pubmed:issn |
0749-1581
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| pubmed:author | |
| pubmed:issnType |
Print
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| pubmed:volume |
44
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| pubmed:owner |
NLM
|
| pubmed:authorsComplete |
Y
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| pubmed:pagination |
325-33
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| pubmed:year |
2006
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| pubmed:articleTitle |
Solid-state NMR and computational studies of 4-methyl-2-nitroacetanilide.
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| pubmed:affiliation |
Department of Chemistry, University of Durham, South Road, Durham, DH1 3LE, UK. r.k.harris@durham.ac.uk
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| pubmed:publicationType |
Journal Article
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