Crystal structures ofcis andtrans 7-phenylcarbamoyl-7,9-diazabicyclo [4.3.0] nonan-8-thiones
Abstract $ C_{14} $$ H_{17} $$ N_{3} $OS,Mr+275.37, CAD4F diffractometer. CuKα,T+293K.cis: orthorhombic, Fdd2,a+22.166(2),b+48.948(3), andc+5.165(1)Å: finalR+0.045 for 2519 observed reflections,trans: triclinic,$$P\bar 1$$,a+11.375(2),b+11.388(2),c+11.823(1)Å, α=110.72(1), β=89.97(1) and γ=93.86(2)o...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Gŀówka, Marek L. [verfasserIn] |
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| Format: |
Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
1994 |
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| Schlagwörter: |
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| Anmerkung: |
© Plenum Publishing Corporation 1994 |
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| Übergeordnetes Werk: |
Enthalten in: Journal of chemical crystallography - Kluwer Academic Publishers-Plenum Publishers, 1994, 24(1994), 2 vom: Feb., Seite 117-121 |
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| Übergeordnetes Werk: |
volume:24 ; year:1994 ; number:2 ; month:02 ; pages:117-121 |
| Links: |
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| DOI / URN: |
10.1007/BF01833666 |
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| Katalog-ID: |
OLC2036695760 |
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| 520 | |a Abstract $ C_{14} $$ H_{17} $$ N_{3} $OS,Mr+275.37, CAD4F diffractometer. CuKα,T+293K.cis: orthorhombic, Fdd2,a+22.166(2),b+48.948(3), andc+5.165(1)Å: finalR+0.045 for 2519 observed reflections,trans: triclinic,$$P\bar 1$$,a+11.375(2),b+11.388(2),c+11.823(1)Å, α=110.72(1), β=89.97(1) and γ=93.86(2)o; final R=0.043 for 3993 observed reflections. Structures were wolved with direct methods and refined by full-matrix least-squares with anisotropic thermal parameters for non-H-atoms. The molecules of the studied isomers have very similar conformations, except for the obvious difference in the bicyclic system junction. Similar orientations of a flexible phenylcarbamoyl substituent results from an intramolecular hydrogen bond S...H−N(carbamoyl). Generally, molecules of thetrans form are flat and those ofcis are not. The observation may be of pharmacological importance as thetrans isomer is a far more potent tuberculostatic agent than thecis. | ||
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10.1007/BF01833666 doi (DE-627)OLC2036695760 (DE-He213)BF01833666-p DE-627 ger DE-627 rakwb eng 540 VZ 13 ssgn Gŀówka, Marek L. verfasserin aut Crystal structures ofcis andtrans 7-phenylcarbamoyl-7,9-diazabicyclo [4.3.0] nonan-8-thiones 1994 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Plenum Publishing Corporation 1994 Abstract $ C_{14} $$ H_{17} $$ N_{3} $OS,Mr+275.37, CAD4F diffractometer. CuKα,T+293K.cis: orthorhombic, Fdd2,a+22.166(2),b+48.948(3), andc+5.165(1)Å: finalR+0.045 for 2519 observed reflections,trans: triclinic,$$P\bar 1$$,a+11.375(2),b+11.388(2),c+11.823(1)Å, α=110.72(1), β=89.97(1) and γ=93.86(2)o; final R=0.043 for 3993 observed reflections. Structures were wolved with direct methods and refined by full-matrix least-squares with anisotropic thermal parameters for non-H-atoms. The molecules of the studied isomers have very similar conformations, except for the obvious difference in the bicyclic system junction. Similar orientations of a flexible phenylcarbamoyl substituent results from an intramolecular hydrogen bond S...H−N(carbamoyl). Generally, molecules of thetrans form are flat and those ofcis are not. The observation may be of pharmacological importance as thetrans isomer is a far more potent tuberculostatic agent than thecis. Hydrogen Reflection Crystal Structure Hydrogen Bond Intramolecular Hydrogen Bond Wieczorek, Michal W. aut Kuźmierkiewicz, Wojciech aut Enthalten in Journal of chemical crystallography Kluwer Academic Publishers-Plenum Publishers, 1994 24(1994), 2 vom: Feb., Seite 117-121 (DE-627)182237877 (DE-600)1189288-2 (DE-576)039053679 1074-1542 nnns volume:24 year:1994 number:2 month:02 pages:117-121 https://doi.org/10.1007/BF01833666 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-CHE SSG-OLC-GEO SSG-OLC-PHA SSG-OLC-DE-84 SSG-OPC-GGO GBV_ILN_11 GBV_ILN_40 GBV_ILN_70 GBV_ILN_4012 AR 24 1994 2 02 117-121 |
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10.1007/BF01833666 doi (DE-627)OLC2036695760 (DE-He213)BF01833666-p DE-627 ger DE-627 rakwb eng 540 VZ 13 ssgn Gŀówka, Marek L. verfasserin aut Crystal structures ofcis andtrans 7-phenylcarbamoyl-7,9-diazabicyclo [4.3.0] nonan-8-thiones 1994 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Plenum Publishing Corporation 1994 Abstract $ C_{14} $$ H_{17} $$ N_{3} $OS,Mr+275.37, CAD4F diffractometer. CuKα,T+293K.cis: orthorhombic, Fdd2,a+22.166(2),b+48.948(3), andc+5.165(1)Å: finalR+0.045 for 2519 observed reflections,trans: triclinic,$$P\bar 1$$,a+11.375(2),b+11.388(2),c+11.823(1)Å, α=110.72(1), β=89.97(1) and γ=93.86(2)o; final R=0.043 for 3993 observed reflections. Structures were wolved with direct methods and refined by full-matrix least-squares with anisotropic thermal parameters for non-H-atoms. The molecules of the studied isomers have very similar conformations, except for the obvious difference in the bicyclic system junction. Similar orientations of a flexible phenylcarbamoyl substituent results from an intramolecular hydrogen bond S...H−N(carbamoyl). Generally, molecules of thetrans form are flat and those ofcis are not. The observation may be of pharmacological importance as thetrans isomer is a far more potent tuberculostatic agent than thecis. Hydrogen Reflection Crystal Structure Hydrogen Bond Intramolecular Hydrogen Bond Wieczorek, Michal W. aut Kuźmierkiewicz, Wojciech aut Enthalten in Journal of chemical crystallography Kluwer Academic Publishers-Plenum Publishers, 1994 24(1994), 2 vom: Feb., Seite 117-121 (DE-627)182237877 (DE-600)1189288-2 (DE-576)039053679 1074-1542 nnns volume:24 year:1994 number:2 month:02 pages:117-121 https://doi.org/10.1007/BF01833666 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-CHE SSG-OLC-GEO SSG-OLC-PHA SSG-OLC-DE-84 SSG-OPC-GGO GBV_ILN_11 GBV_ILN_40 GBV_ILN_70 GBV_ILN_4012 AR 24 1994 2 02 117-121 |
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10.1007/BF01833666 doi (DE-627)OLC2036695760 (DE-He213)BF01833666-p DE-627 ger DE-627 rakwb eng 540 VZ 13 ssgn Gŀówka, Marek L. verfasserin aut Crystal structures ofcis andtrans 7-phenylcarbamoyl-7,9-diazabicyclo [4.3.0] nonan-8-thiones 1994 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Plenum Publishing Corporation 1994 Abstract $ C_{14} $$ H_{17} $$ N_{3} $OS,Mr+275.37, CAD4F diffractometer. CuKα,T+293K.cis: orthorhombic, Fdd2,a+22.166(2),b+48.948(3), andc+5.165(1)Å: finalR+0.045 for 2519 observed reflections,trans: triclinic,$$P\bar 1$$,a+11.375(2),b+11.388(2),c+11.823(1)Å, α=110.72(1), β=89.97(1) and γ=93.86(2)o; final R=0.043 for 3993 observed reflections. Structures were wolved with direct methods and refined by full-matrix least-squares with anisotropic thermal parameters for non-H-atoms. The molecules of the studied isomers have very similar conformations, except for the obvious difference in the bicyclic system junction. Similar orientations of a flexible phenylcarbamoyl substituent results from an intramolecular hydrogen bond S...H−N(carbamoyl). Generally, molecules of thetrans form are flat and those ofcis are not. The observation may be of pharmacological importance as thetrans isomer is a far more potent tuberculostatic agent than thecis. Hydrogen Reflection Crystal Structure Hydrogen Bond Intramolecular Hydrogen Bond Wieczorek, Michal W. aut Kuźmierkiewicz, Wojciech aut Enthalten in Journal of chemical crystallography Kluwer Academic Publishers-Plenum Publishers, 1994 24(1994), 2 vom: Feb., Seite 117-121 (DE-627)182237877 (DE-600)1189288-2 (DE-576)039053679 1074-1542 nnns volume:24 year:1994 number:2 month:02 pages:117-121 https://doi.org/10.1007/BF01833666 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-CHE SSG-OLC-GEO SSG-OLC-PHA SSG-OLC-DE-84 SSG-OPC-GGO GBV_ILN_11 GBV_ILN_40 GBV_ILN_70 GBV_ILN_4012 AR 24 1994 2 02 117-121 |
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10.1007/BF01833666 doi (DE-627)OLC2036695760 (DE-He213)BF01833666-p DE-627 ger DE-627 rakwb eng 540 VZ 13 ssgn Gŀówka, Marek L. verfasserin aut Crystal structures ofcis andtrans 7-phenylcarbamoyl-7,9-diazabicyclo [4.3.0] nonan-8-thiones 1994 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Plenum Publishing Corporation 1994 Abstract $ C_{14} $$ H_{17} $$ N_{3} $OS,Mr+275.37, CAD4F diffractometer. CuKα,T+293K.cis: orthorhombic, Fdd2,a+22.166(2),b+48.948(3), andc+5.165(1)Å: finalR+0.045 for 2519 observed reflections,trans: triclinic,$$P\bar 1$$,a+11.375(2),b+11.388(2),c+11.823(1)Å, α=110.72(1), β=89.97(1) and γ=93.86(2)o; final R=0.043 for 3993 observed reflections. Structures were wolved with direct methods and refined by full-matrix least-squares with anisotropic thermal parameters for non-H-atoms. The molecules of the studied isomers have very similar conformations, except for the obvious difference in the bicyclic system junction. Similar orientations of a flexible phenylcarbamoyl substituent results from an intramolecular hydrogen bond S...H−N(carbamoyl). Generally, molecules of thetrans form are flat and those ofcis are not. The observation may be of pharmacological importance as thetrans isomer is a far more potent tuberculostatic agent than thecis. Hydrogen Reflection Crystal Structure Hydrogen Bond Intramolecular Hydrogen Bond Wieczorek, Michal W. aut Kuźmierkiewicz, Wojciech aut Enthalten in Journal of chemical crystallography Kluwer Academic Publishers-Plenum Publishers, 1994 24(1994), 2 vom: Feb., Seite 117-121 (DE-627)182237877 (DE-600)1189288-2 (DE-576)039053679 1074-1542 nnns volume:24 year:1994 number:2 month:02 pages:117-121 https://doi.org/10.1007/BF01833666 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-CHE SSG-OLC-GEO SSG-OLC-PHA SSG-OLC-DE-84 SSG-OPC-GGO GBV_ILN_11 GBV_ILN_40 GBV_ILN_70 GBV_ILN_4012 AR 24 1994 2 02 117-121 |
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10.1007/BF01833666 doi (DE-627)OLC2036695760 (DE-He213)BF01833666-p DE-627 ger DE-627 rakwb eng 540 VZ 13 ssgn Gŀówka, Marek L. verfasserin aut Crystal structures ofcis andtrans 7-phenylcarbamoyl-7,9-diazabicyclo [4.3.0] nonan-8-thiones 1994 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Plenum Publishing Corporation 1994 Abstract $ C_{14} $$ H_{17} $$ N_{3} $OS,Mr+275.37, CAD4F diffractometer. CuKα,T+293K.cis: orthorhombic, Fdd2,a+22.166(2),b+48.948(3), andc+5.165(1)Å: finalR+0.045 for 2519 observed reflections,trans: triclinic,$$P\bar 1$$,a+11.375(2),b+11.388(2),c+11.823(1)Å, α=110.72(1), β=89.97(1) and γ=93.86(2)o; final R=0.043 for 3993 observed reflections. Structures were wolved with direct methods and refined by full-matrix least-squares with anisotropic thermal parameters for non-H-atoms. The molecules of the studied isomers have very similar conformations, except for the obvious difference in the bicyclic system junction. Similar orientations of a flexible phenylcarbamoyl substituent results from an intramolecular hydrogen bond S...H−N(carbamoyl). Generally, molecules of thetrans form are flat and those ofcis are not. The observation may be of pharmacological importance as thetrans isomer is a far more potent tuberculostatic agent than thecis. Hydrogen Reflection Crystal Structure Hydrogen Bond Intramolecular Hydrogen Bond Wieczorek, Michal W. aut Kuźmierkiewicz, Wojciech aut Enthalten in Journal of chemical crystallography Kluwer Academic Publishers-Plenum Publishers, 1994 24(1994), 2 vom: Feb., Seite 117-121 (DE-627)182237877 (DE-600)1189288-2 (DE-576)039053679 1074-1542 nnns volume:24 year:1994 number:2 month:02 pages:117-121 https://doi.org/10.1007/BF01833666 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-CHE SSG-OLC-GEO SSG-OLC-PHA SSG-OLC-DE-84 SSG-OPC-GGO GBV_ILN_11 GBV_ILN_40 GBV_ILN_70 GBV_ILN_4012 AR 24 1994 2 02 117-121 |
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540 VZ 13 ssgn Crystal structures ofcis andtrans 7-phenylcarbamoyl-7,9-diazabicyclo [4.3.0] nonan-8-thiones Hydrogen Reflection Crystal Structure Hydrogen Bond Intramolecular Hydrogen Bond |
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Crystal structures ofcis andtrans 7-phenylcarbamoyl-7,9-diazabicyclo [4.3.0] nonan-8-thiones |
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Crystal structures ofcis andtrans 7-phenylcarbamoyl-7,9-diazabicyclo [4.3.0] nonan-8-thiones |
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Gŀówka, Marek L. |
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Journal of chemical crystallography |
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Journal of chemical crystallography |
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1994 |
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Gŀówka, Marek L. Wieczorek, Michal W. Kuźmierkiewicz, Wojciech |
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540 VZ 13 ssgn |
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Aufsätze |
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Gŀówka, Marek L. |
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10.1007/BF01833666 |
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540 |
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crystal structures ofcis andtrans 7-phenylcarbamoyl-7,9-diazabicyclo [4.3.0] nonan-8-thiones |
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Crystal structures ofcis andtrans 7-phenylcarbamoyl-7,9-diazabicyclo [4.3.0] nonan-8-thiones |
| abstract |
Abstract $ C_{14} $$ H_{17} $$ N_{3} $OS,Mr+275.37, CAD4F diffractometer. CuKα,T+293K.cis: orthorhombic, Fdd2,a+22.166(2),b+48.948(3), andc+5.165(1)Å: finalR+0.045 for 2519 observed reflections,trans: triclinic,$$P\bar 1$$,a+11.375(2),b+11.388(2),c+11.823(1)Å, α=110.72(1), β=89.97(1) and γ=93.86(2)o; final R=0.043 for 3993 observed reflections. Structures were wolved with direct methods and refined by full-matrix least-squares with anisotropic thermal parameters for non-H-atoms. The molecules of the studied isomers have very similar conformations, except for the obvious difference in the bicyclic system junction. Similar orientations of a flexible phenylcarbamoyl substituent results from an intramolecular hydrogen bond S...H−N(carbamoyl). Generally, molecules of thetrans form are flat and those ofcis are not. The observation may be of pharmacological importance as thetrans isomer is a far more potent tuberculostatic agent than thecis. © Plenum Publishing Corporation 1994 |
| abstractGer |
Abstract $ C_{14} $$ H_{17} $$ N_{3} $OS,Mr+275.37, CAD4F diffractometer. CuKα,T+293K.cis: orthorhombic, Fdd2,a+22.166(2),b+48.948(3), andc+5.165(1)Å: finalR+0.045 for 2519 observed reflections,trans: triclinic,$$P\bar 1$$,a+11.375(2),b+11.388(2),c+11.823(1)Å, α=110.72(1), β=89.97(1) and γ=93.86(2)o; final R=0.043 for 3993 observed reflections. Structures were wolved with direct methods and refined by full-matrix least-squares with anisotropic thermal parameters for non-H-atoms. The molecules of the studied isomers have very similar conformations, except for the obvious difference in the bicyclic system junction. Similar orientations of a flexible phenylcarbamoyl substituent results from an intramolecular hydrogen bond S...H−N(carbamoyl). Generally, molecules of thetrans form are flat and those ofcis are not. The observation may be of pharmacological importance as thetrans isomer is a far more potent tuberculostatic agent than thecis. © Plenum Publishing Corporation 1994 |
| abstract_unstemmed |
Abstract $ C_{14} $$ H_{17} $$ N_{3} $OS,Mr+275.37, CAD4F diffractometer. CuKα,T+293K.cis: orthorhombic, Fdd2,a+22.166(2),b+48.948(3), andc+5.165(1)Å: finalR+0.045 for 2519 observed reflections,trans: triclinic,$$P\bar 1$$,a+11.375(2),b+11.388(2),c+11.823(1)Å, α=110.72(1), β=89.97(1) and γ=93.86(2)o; final R=0.043 for 3993 observed reflections. Structures were wolved with direct methods and refined by full-matrix least-squares with anisotropic thermal parameters for non-H-atoms. The molecules of the studied isomers have very similar conformations, except for the obvious difference in the bicyclic system junction. Similar orientations of a flexible phenylcarbamoyl substituent results from an intramolecular hydrogen bond S...H−N(carbamoyl). Generally, molecules of thetrans form are flat and those ofcis are not. The observation may be of pharmacological importance as thetrans isomer is a far more potent tuberculostatic agent than thecis. © Plenum Publishing Corporation 1994 |
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| title_short |
Crystal structures ofcis andtrans 7-phenylcarbamoyl-7,9-diazabicyclo [4.3.0] nonan-8-thiones |
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