Crystal structures of twoN-substituted 2-thioxo-1,3-dithiole-4-carboxamides
Abstract The two closely related compoundsN,N-dimethyl 5-(methylthio)-2-thioxo-1,3-dithiole-4-carboxamide1 andN-(p-methoxy-phenyl)-N-methyl 5-(methylthio)-2-thioxo-1,3-dithiole-4-carboxamide2 have been characterized by X-ray crystal structure determination. Crystal data for1: triclinic,$$P\bar 1$$,a...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Heinemann, Frank W. [verfasserIn] |
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| Format: |
Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
1995 |
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| Anmerkung: |
© Plenum Publishing Corporation 1995 |
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| Übergeordnetes Werk: |
Enthalten in: Journal of chemical crystallography - Kluwer Academic Publishers-Plenum Publishers, 1994, 25(1995), 8 vom: Aug., Seite 463-467 |
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| Übergeordnetes Werk: |
volume:25 ; year:1995 ; number:8 ; month:08 ; pages:463-467 |
| Links: |
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| DOI / URN: |
10.1007/BF01665702 |
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| Katalog-ID: |
OLC2036697852 |
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| 520 | |a Abstract The two closely related compoundsN,N-dimethyl 5-(methylthio)-2-thioxo-1,3-dithiole-4-carboxamide1 andN-(p-methoxy-phenyl)-N-methyl 5-(methylthio)-2-thioxo-1,3-dithiole-4-carboxamide2 have been characterized by X-ray crystal structure determination. Crystal data for1: triclinic,$$P\bar 1$$,a=6.767(1),b=12.594(2),c=6.648(1) Å, α=101.38(1), β=93.37(2), γ=79.62(1)°,V=546.2 $ Å^{3} $,Z=2. Crystal data for2: monoclinic, Cc,a=19.836(4),b=6.057(1),c=15.860(3) Å, β=127.61(3)°,V=1509.$ 5Å^{3} $,Z=4. The molecular structures of1 and2 show remarkable differences concerning the conformational behavior. These differences are related to the nature of the substituents at the nitrogen atom. The presence of an aromatic system in2 leads to an almost planar arrangement of the α-oxoketene dithioacetal moiety. This effect is accompanied by a short intramolecular S...O contact of 2.648(2) Å. In the absence of an aromatic system, as is the case for compound1, neither a resonance effect along the α-oxoketene dithioacetal fragment nor a short S...O distance is observed. | ||
| 700 | 1 | |a Dölling, Wolfgang |4 aut | |
| 700 | 1 | |a Hartung, Helmut |4 aut | |
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10.1007/BF01665702 doi (DE-627)OLC2036697852 (DE-He213)BF01665702-p DE-627 ger DE-627 rakwb eng 540 VZ 13 ssgn Heinemann, Frank W. verfasserin aut Crystal structures of twoN-substituted 2-thioxo-1,3-dithiole-4-carboxamides 1995 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Plenum Publishing Corporation 1995 Abstract The two closely related compoundsN,N-dimethyl 5-(methylthio)-2-thioxo-1,3-dithiole-4-carboxamide1 andN-(p-methoxy-phenyl)-N-methyl 5-(methylthio)-2-thioxo-1,3-dithiole-4-carboxamide2 have been characterized by X-ray crystal structure determination. Crystal data for1: triclinic,$$P\bar 1$$,a=6.767(1),b=12.594(2),c=6.648(1) Å, α=101.38(1), β=93.37(2), γ=79.62(1)°,V=546.2 $ Å^{3} $,Z=2. Crystal data for2: monoclinic, Cc,a=19.836(4),b=6.057(1),c=15.860(3) Å, β=127.61(3)°,V=1509.$ 5Å^{3} $,Z=4. The molecular structures of1 and2 show remarkable differences concerning the conformational behavior. These differences are related to the nature of the substituents at the nitrogen atom. The presence of an aromatic system in2 leads to an almost planar arrangement of the α-oxoketene dithioacetal moiety. This effect is accompanied by a short intramolecular S...O contact of 2.648(2) Å. In the absence of an aromatic system, as is the case for compound1, neither a resonance effect along the α-oxoketene dithioacetal fragment nor a short S...O distance is observed. Dölling, Wolfgang aut Hartung, Helmut aut Enthalten in Journal of chemical crystallography Kluwer Academic Publishers-Plenum Publishers, 1994 25(1995), 8 vom: Aug., Seite 463-467 (DE-627)182237877 (DE-600)1189288-2 (DE-576)039053679 1074-1542 nnns volume:25 year:1995 number:8 month:08 pages:463-467 https://doi.org/10.1007/BF01665702 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 25 1995 8 08 463-467 |
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10.1007/BF01665702 doi (DE-627)OLC2036697852 (DE-He213)BF01665702-p DE-627 ger DE-627 rakwb eng 540 VZ 13 ssgn Heinemann, Frank W. verfasserin aut Crystal structures of twoN-substituted 2-thioxo-1,3-dithiole-4-carboxamides 1995 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Plenum Publishing Corporation 1995 Abstract The two closely related compoundsN,N-dimethyl 5-(methylthio)-2-thioxo-1,3-dithiole-4-carboxamide1 andN-(p-methoxy-phenyl)-N-methyl 5-(methylthio)-2-thioxo-1,3-dithiole-4-carboxamide2 have been characterized by X-ray crystal structure determination. Crystal data for1: triclinic,$$P\bar 1$$,a=6.767(1),b=12.594(2),c=6.648(1) Å, α=101.38(1), β=93.37(2), γ=79.62(1)°,V=546.2 $ Å^{3} $,Z=2. Crystal data for2: monoclinic, Cc,a=19.836(4),b=6.057(1),c=15.860(3) Å, β=127.61(3)°,V=1509.$ 5Å^{3} $,Z=4. The molecular structures of1 and2 show remarkable differences concerning the conformational behavior. These differences are related to the nature of the substituents at the nitrogen atom. The presence of an aromatic system in2 leads to an almost planar arrangement of the α-oxoketene dithioacetal moiety. This effect is accompanied by a short intramolecular S...O contact of 2.648(2) Å. In the absence of an aromatic system, as is the case for compound1, neither a resonance effect along the α-oxoketene dithioacetal fragment nor a short S...O distance is observed. Dölling, Wolfgang aut Hartung, Helmut aut Enthalten in Journal of chemical crystallography Kluwer Academic Publishers-Plenum Publishers, 1994 25(1995), 8 vom: Aug., Seite 463-467 (DE-627)182237877 (DE-600)1189288-2 (DE-576)039053679 1074-1542 nnns volume:25 year:1995 number:8 month:08 pages:463-467 https://doi.org/10.1007/BF01665702 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 25 1995 8 08 463-467 |
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10.1007/BF01665702 doi (DE-627)OLC2036697852 (DE-He213)BF01665702-p DE-627 ger DE-627 rakwb eng 540 VZ 13 ssgn Heinemann, Frank W. verfasserin aut Crystal structures of twoN-substituted 2-thioxo-1,3-dithiole-4-carboxamides 1995 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Plenum Publishing Corporation 1995 Abstract The two closely related compoundsN,N-dimethyl 5-(methylthio)-2-thioxo-1,3-dithiole-4-carboxamide1 andN-(p-methoxy-phenyl)-N-methyl 5-(methylthio)-2-thioxo-1,3-dithiole-4-carboxamide2 have been characterized by X-ray crystal structure determination. Crystal data for1: triclinic,$$P\bar 1$$,a=6.767(1),b=12.594(2),c=6.648(1) Å, α=101.38(1), β=93.37(2), γ=79.62(1)°,V=546.2 $ Å^{3} $,Z=2. Crystal data for2: monoclinic, Cc,a=19.836(4),b=6.057(1),c=15.860(3) Å, β=127.61(3)°,V=1509.$ 5Å^{3} $,Z=4. The molecular structures of1 and2 show remarkable differences concerning the conformational behavior. These differences are related to the nature of the substituents at the nitrogen atom. The presence of an aromatic system in2 leads to an almost planar arrangement of the α-oxoketene dithioacetal moiety. This effect is accompanied by a short intramolecular S...O contact of 2.648(2) Å. In the absence of an aromatic system, as is the case for compound1, neither a resonance effect along the α-oxoketene dithioacetal fragment nor a short S...O distance is observed. Dölling, Wolfgang aut Hartung, Helmut aut Enthalten in Journal of chemical crystallography Kluwer Academic Publishers-Plenum Publishers, 1994 25(1995), 8 vom: Aug., Seite 463-467 (DE-627)182237877 (DE-600)1189288-2 (DE-576)039053679 1074-1542 nnns volume:25 year:1995 number:8 month:08 pages:463-467 https://doi.org/10.1007/BF01665702 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 25 1995 8 08 463-467 |
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10.1007/BF01665702 doi (DE-627)OLC2036697852 (DE-He213)BF01665702-p DE-627 ger DE-627 rakwb eng 540 VZ 13 ssgn Heinemann, Frank W. verfasserin aut Crystal structures of twoN-substituted 2-thioxo-1,3-dithiole-4-carboxamides 1995 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Plenum Publishing Corporation 1995 Abstract The two closely related compoundsN,N-dimethyl 5-(methylthio)-2-thioxo-1,3-dithiole-4-carboxamide1 andN-(p-methoxy-phenyl)-N-methyl 5-(methylthio)-2-thioxo-1,3-dithiole-4-carboxamide2 have been characterized by X-ray crystal structure determination. Crystal data for1: triclinic,$$P\bar 1$$,a=6.767(1),b=12.594(2),c=6.648(1) Å, α=101.38(1), β=93.37(2), γ=79.62(1)°,V=546.2 $ Å^{3} $,Z=2. Crystal data for2: monoclinic, Cc,a=19.836(4),b=6.057(1),c=15.860(3) Å, β=127.61(3)°,V=1509.$ 5Å^{3} $,Z=4. The molecular structures of1 and2 show remarkable differences concerning the conformational behavior. These differences are related to the nature of the substituents at the nitrogen atom. The presence of an aromatic system in2 leads to an almost planar arrangement of the α-oxoketene dithioacetal moiety. This effect is accompanied by a short intramolecular S...O contact of 2.648(2) Å. In the absence of an aromatic system, as is the case for compound1, neither a resonance effect along the α-oxoketene dithioacetal fragment nor a short S...O distance is observed. Dölling, Wolfgang aut Hartung, Helmut aut Enthalten in Journal of chemical crystallography Kluwer Academic Publishers-Plenum Publishers, 1994 25(1995), 8 vom: Aug., Seite 463-467 (DE-627)182237877 (DE-600)1189288-2 (DE-576)039053679 1074-1542 nnns volume:25 year:1995 number:8 month:08 pages:463-467 https://doi.org/10.1007/BF01665702 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 25 1995 8 08 463-467 |
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10.1007/BF01665702 doi (DE-627)OLC2036697852 (DE-He213)BF01665702-p DE-627 ger DE-627 rakwb eng 540 VZ 13 ssgn Heinemann, Frank W. verfasserin aut Crystal structures of twoN-substituted 2-thioxo-1,3-dithiole-4-carboxamides 1995 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Plenum Publishing Corporation 1995 Abstract The two closely related compoundsN,N-dimethyl 5-(methylthio)-2-thioxo-1,3-dithiole-4-carboxamide1 andN-(p-methoxy-phenyl)-N-methyl 5-(methylthio)-2-thioxo-1,3-dithiole-4-carboxamide2 have been characterized by X-ray crystal structure determination. Crystal data for1: triclinic,$$P\bar 1$$,a=6.767(1),b=12.594(2),c=6.648(1) Å, α=101.38(1), β=93.37(2), γ=79.62(1)°,V=546.2 $ Å^{3} $,Z=2. Crystal data for2: monoclinic, Cc,a=19.836(4),b=6.057(1),c=15.860(3) Å, β=127.61(3)°,V=1509.$ 5Å^{3} $,Z=4. The molecular structures of1 and2 show remarkable differences concerning the conformational behavior. These differences are related to the nature of the substituents at the nitrogen atom. The presence of an aromatic system in2 leads to an almost planar arrangement of the α-oxoketene dithioacetal moiety. This effect is accompanied by a short intramolecular S...O contact of 2.648(2) Å. In the absence of an aromatic system, as is the case for compound1, neither a resonance effect along the α-oxoketene dithioacetal fragment nor a short S...O distance is observed. Dölling, Wolfgang aut Hartung, Helmut aut Enthalten in Journal of chemical crystallography Kluwer Academic Publishers-Plenum Publishers, 1994 25(1995), 8 vom: Aug., Seite 463-467 (DE-627)182237877 (DE-600)1189288-2 (DE-576)039053679 1074-1542 nnns volume:25 year:1995 number:8 month:08 pages:463-467 https://doi.org/10.1007/BF01665702 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 25 1995 8 08 463-467 |
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Crystal structures of twoN-substituted 2-thioxo-1,3-dithiole-4-carboxamides |
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(DE-627)OLC2036697852 (DE-He213)BF01665702-p |
| title_full |
Crystal structures of twoN-substituted 2-thioxo-1,3-dithiole-4-carboxamides |
| author_sort |
Heinemann, Frank W. |
| journal |
Journal of chemical crystallography |
| journalStr |
Journal of chemical crystallography |
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eng |
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500 - Science |
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marc |
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1995 |
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txt |
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463 |
| author_browse |
Heinemann, Frank W. Dölling, Wolfgang Hartung, Helmut |
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25 |
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540 VZ 13 ssgn |
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Aufsätze |
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Heinemann, Frank W. |
| doi_str_mv |
10.1007/BF01665702 |
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540 |
| title_sort |
crystal structures of twon-substituted 2-thioxo-1,3-dithiole-4-carboxamides |
| title_auth |
Crystal structures of twoN-substituted 2-thioxo-1,3-dithiole-4-carboxamides |
| abstract |
Abstract The two closely related compoundsN,N-dimethyl 5-(methylthio)-2-thioxo-1,3-dithiole-4-carboxamide1 andN-(p-methoxy-phenyl)-N-methyl 5-(methylthio)-2-thioxo-1,3-dithiole-4-carboxamide2 have been characterized by X-ray crystal structure determination. Crystal data for1: triclinic,$$P\bar 1$$,a=6.767(1),b=12.594(2),c=6.648(1) Å, α=101.38(1), β=93.37(2), γ=79.62(1)°,V=546.2 $ Å^{3} $,Z=2. Crystal data for2: monoclinic, Cc,a=19.836(4),b=6.057(1),c=15.860(3) Å, β=127.61(3)°,V=1509.$ 5Å^{3} $,Z=4. The molecular structures of1 and2 show remarkable differences concerning the conformational behavior. These differences are related to the nature of the substituents at the nitrogen atom. The presence of an aromatic system in2 leads to an almost planar arrangement of the α-oxoketene dithioacetal moiety. This effect is accompanied by a short intramolecular S...O contact of 2.648(2) Å. In the absence of an aromatic system, as is the case for compound1, neither a resonance effect along the α-oxoketene dithioacetal fragment nor a short S...O distance is observed. © Plenum Publishing Corporation 1995 |
| abstractGer |
Abstract The two closely related compoundsN,N-dimethyl 5-(methylthio)-2-thioxo-1,3-dithiole-4-carboxamide1 andN-(p-methoxy-phenyl)-N-methyl 5-(methylthio)-2-thioxo-1,3-dithiole-4-carboxamide2 have been characterized by X-ray crystal structure determination. Crystal data for1: triclinic,$$P\bar 1$$,a=6.767(1),b=12.594(2),c=6.648(1) Å, α=101.38(1), β=93.37(2), γ=79.62(1)°,V=546.2 $ Å^{3} $,Z=2. Crystal data for2: monoclinic, Cc,a=19.836(4),b=6.057(1),c=15.860(3) Å, β=127.61(3)°,V=1509.$ 5Å^{3} $,Z=4. The molecular structures of1 and2 show remarkable differences concerning the conformational behavior. These differences are related to the nature of the substituents at the nitrogen atom. The presence of an aromatic system in2 leads to an almost planar arrangement of the α-oxoketene dithioacetal moiety. This effect is accompanied by a short intramolecular S...O contact of 2.648(2) Å. In the absence of an aromatic system, as is the case for compound1, neither a resonance effect along the α-oxoketene dithioacetal fragment nor a short S...O distance is observed. © Plenum Publishing Corporation 1995 |
| abstract_unstemmed |
Abstract The two closely related compoundsN,N-dimethyl 5-(methylthio)-2-thioxo-1,3-dithiole-4-carboxamide1 andN-(p-methoxy-phenyl)-N-methyl 5-(methylthio)-2-thioxo-1,3-dithiole-4-carboxamide2 have been characterized by X-ray crystal structure determination. Crystal data for1: triclinic,$$P\bar 1$$,a=6.767(1),b=12.594(2),c=6.648(1) Å, α=101.38(1), β=93.37(2), γ=79.62(1)°,V=546.2 $ Å^{3} $,Z=2. Crystal data for2: monoclinic, Cc,a=19.836(4),b=6.057(1),c=15.860(3) Å, β=127.61(3)°,V=1509.$ 5Å^{3} $,Z=4. The molecular structures of1 and2 show remarkable differences concerning the conformational behavior. These differences are related to the nature of the substituents at the nitrogen atom. The presence of an aromatic system in2 leads to an almost planar arrangement of the α-oxoketene dithioacetal moiety. This effect is accompanied by a short intramolecular S...O contact of 2.648(2) Å. In the absence of an aromatic system, as is the case for compound1, neither a resonance effect along the α-oxoketene dithioacetal fragment nor a short S...O distance is observed. © Plenum Publishing Corporation 1995 |
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| container_issue |
8 |
| title_short |
Crystal structures of twoN-substituted 2-thioxo-1,3-dithiole-4-carboxamides |
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https://doi.org/10.1007/BF01665702 |
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Dölling, Wolfgang Hartung, Helmut |
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| up_date |
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