Effects of polymorphic differences for sulfanilamide, as seen through 13C and 15N solid-state NMR, together with shielding calculations
We recorded both carbon‐13 and nitrogen‐15 NMR spectra of the three solid forms of sulfanilamide most commonly known. This study led to an interpretation of the solid‐state effects seen in cross‐polarization magic angle spinning spectra. Relaxation times for the different forms were measured. These...
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| Veröffentlicht in: | Magnetic resonance in chemistry 2004-03, Vol.42 (3), p.313-320 |
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| container_title | Magnetic resonance in chemistry |
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| creator | Portieri, Alessia Harris, Robin K. Fletton, Richard A. Lancaster, Robert W. Threlfall, Terence L. |
| description | We recorded both carbon‐13 and nitrogen‐15 NMR spectra of the three solid forms of sulfanilamide most commonly known. This study led to an interpretation of the solid‐state effects seen in cross‐polarization magic angle spinning spectra. Relaxation times for the different forms were measured. These show different behaviour for the three forms, arising from mobility variations. To obtain information on local environments, static spectra and spinning sideband manifolds were recorded and analysed for the 15N resonances, using isotopically enriched samples. Shielding asymmetries and anisotropies for the two nitrogen nuclei were obtained, showing very different behaviour for the two sites. Shielding calculations were carried out for both 13C and 15N nuclei, and the results are discussed in relation to the experimental values. Copyright © 2004 John Wiley & Sons, Ltd. |
| doi_str_mv | 10.1002/mrc.1351 |
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This study led to an interpretation of the solid‐state effects seen in cross‐polarization magic angle spinning spectra. Relaxation times for the different forms were measured. These show different behaviour for the three forms, arising from mobility variations. To obtain information on local environments, static spectra and spinning sideband manifolds were recorded and analysed for the 15N resonances, using isotopically enriched samples. Shielding asymmetries and anisotropies for the two nitrogen nuclei were obtained, showing very different behaviour for the two sites. Shielding calculations were carried out for both 13C and 15N nuclei, and the results are discussed in relation to the experimental values. 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Reson. Chem</addtitle><description>We recorded both carbon‐13 and nitrogen‐15 NMR spectra of the three solid forms of sulfanilamide most commonly known. This study led to an interpretation of the solid‐state effects seen in cross‐polarization magic angle spinning spectra. Relaxation times for the different forms were measured. These show different behaviour for the three forms, arising from mobility variations. To obtain information on local environments, static spectra and spinning sideband manifolds were recorded and analysed for the 15N resonances, using isotopically enriched samples. Shielding asymmetries and anisotropies for the two nitrogen nuclei were obtained, showing very different behaviour for the two sites. Shielding calculations were carried out for both 13C and 15N nuclei, and the results are discussed in relation to the experimental values. Copyright © 2004 John Wiley & Sons, Ltd.</description><subject>13C NMR</subject><subject>15N NMR</subject><subject>Anisotropy</subject><subject>Calibration</subject><subject>Carbon Isotopes</subject><subject>CP/MAS NMR</subject><subject>Hydrogen Bonding</subject><subject>Isomerism</subject><subject>Magnetic Resonance Spectroscopy</subject><subject>Models, Molecular</subject><subject>Molecular Conformation</subject><subject>Nitrogen Isotopes</subject><subject>NMR</subject><subject>polymorphs</subject><subject>relaxation</subject><subject>shielding computations</subject><subject>sulfanilamide</subject><subject>Sulfanilamides - chemistry</subject><issn>0749-1581</issn><issn>1097-458X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2004</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNpFkUFv1DAQhS0EoktB4hcgnzg1xU4ce31EUWmL2kVaFcrN8trjjcGJF9tR2V_Qv02WFnp6ozefZqT3EHpLySklpP4wJHNKm5Y-QwtKpKhYu_z-HC2IYLKi7ZIeoVc5_yCESCmal-iIMikooXyB7s-cA1Myjg7vYtgPMe16b7D1s59gNJCxiwnnKTg9-qAHb-EE64wzwIhLn-K07TFtOqxHi2m7wjkGb6tcdAG8ul6f4BK3UHpI-M6XHufeQ7B-3GKjg5mCLj6O-TV64XTI8OZRj9HXT2c33UV19eX8svt4VXnaEFpBK7kkvHb1RmrB-DxJzogGTonQzBAyA4JZkHw2YdnYmtcW2qVjZuNq2Ryj9w93dyn-miAXNfhsIAQ9Qpyy4pyLRrTtDL57BKfNAFbtkh902qt_0c1A9QDc-QD7pz1Rh0rUXIk6VKKu191Bn3ifC_z-z-v0U_19qW5X5-p2zb5ddPSzumn-AKi6jWs</recordid><startdate>200403</startdate><enddate>200403</enddate><creator>Portieri, Alessia</creator><creator>Harris, Robin K.</creator><creator>Fletton, Richard A.</creator><creator>Lancaster, Robert W.</creator><creator>Threlfall, Terence L.</creator><general>John Wiley & Sons, Ltd</general><scope>BSCLL</scope><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>7X8</scope></search><sort><creationdate>200403</creationdate><title>Effects of polymorphic differences for sulfanilamide, as seen through 13C and 15N solid-state NMR, together with shielding calculations</title><author>Portieri, Alessia ; Harris, Robin K. ; Fletton, Richard A. ; Lancaster, Robert W. ; Threlfall, Terence L.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-i1301-e5969062f2b9a74662f9640ae6107a4c0059674de960aee83d262de58f4cbf293</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2004</creationdate><topic>13C NMR</topic><topic>15N NMR</topic><topic>Anisotropy</topic><topic>Calibration</topic><topic>Carbon Isotopes</topic><topic>CP/MAS NMR</topic><topic>Hydrogen Bonding</topic><topic>Isomerism</topic><topic>Magnetic Resonance Spectroscopy</topic><topic>Models, Molecular</topic><topic>Molecular Conformation</topic><topic>Nitrogen Isotopes</topic><topic>NMR</topic><topic>polymorphs</topic><topic>relaxation</topic><topic>shielding computations</topic><topic>sulfanilamide</topic><topic>Sulfanilamides - chemistry</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Portieri, Alessia</creatorcontrib><creatorcontrib>Harris, Robin K.</creatorcontrib><creatorcontrib>Fletton, Richard A.</creatorcontrib><creatorcontrib>Lancaster, Robert W.</creatorcontrib><creatorcontrib>Threlfall, Terence L.</creatorcontrib><collection>Istex</collection><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>MEDLINE - Academic</collection><jtitle>Magnetic resonance in chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Portieri, Alessia</au><au>Harris, Robin K.</au><au>Fletton, Richard A.</au><au>Lancaster, Robert W.</au><au>Threlfall, Terence L.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Effects of polymorphic differences for sulfanilamide, as seen through 13C and 15N solid-state NMR, together with shielding calculations</atitle><jtitle>Magnetic resonance in chemistry</jtitle><addtitle>Magn. Reson. Chem</addtitle><date>2004-03</date><risdate>2004</risdate><volume>42</volume><issue>3</issue><spage>313</spage><epage>320</epage><pages>313-320</pages><issn>0749-1581</issn><eissn>1097-458X</eissn><abstract>We recorded both carbon‐13 and nitrogen‐15 NMR spectra of the three solid forms of sulfanilamide most commonly known. This study led to an interpretation of the solid‐state effects seen in cross‐polarization magic angle spinning spectra. Relaxation times for the different forms were measured. These show different behaviour for the three forms, arising from mobility variations. To obtain information on local environments, static spectra and spinning sideband manifolds were recorded and analysed for the 15N resonances, using isotopically enriched samples. Shielding asymmetries and anisotropies for the two nitrogen nuclei were obtained, showing very different behaviour for the two sites. Shielding calculations were carried out for both 13C and 15N nuclei, and the results are discussed in relation to the experimental values. Copyright © 2004 John Wiley & Sons, Ltd.</abstract><cop>Chichester, UK</cop><pub>John Wiley & Sons, Ltd</pub><pmid>14971016</pmid><doi>10.1002/mrc.1351</doi><tpages>8</tpages></addata></record> |
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| ispartof | Magnetic resonance in chemistry, 2004-03, Vol.42 (3), p.313-320 |
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| language | eng |
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| source | MEDLINE; Wiley Online Library Journals Frontfile Complete |
| subjects | 13C NMR 15N NMR Anisotropy Calibration Carbon Isotopes CP/MAS NMR Hydrogen Bonding Isomerism Magnetic Resonance Spectroscopy Models, Molecular Molecular Conformation Nitrogen Isotopes NMR polymorphs relaxation shielding computations sulfanilamide Sulfanilamides - chemistry |
| title | Effects of polymorphic differences for sulfanilamide, as seen through 13C and 15N solid-state NMR, together with shielding calculations |
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