1-Methanesulfonyl-1H-1,2,3-benzotriazole
The molecular geometry of the title compound, C7H7N3O2S, does not differ much from that of the previously reported 4-toluenesulfonyl analogue. Unlike the latter compound, however, molecules of the title compound associate primarily via π–π stacking interaction...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2010-11-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810040778 |
| _version_ | 1818791638426714112 |
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| author | Petr Štěpnička Hana Solařová Ivana Císařová |
| author_facet | Petr Štěpnička Hana Solařová Ivana Císařová |
| author_sort | Petr Štěpnička |
| collection | DOAJ |
| description | The molecular geometry of the title compound, C7H7N3O2S, does not differ much from that of the previously reported 4-toluenesulfonyl analogue. Unlike the latter compound, however, molecules of the title compound associate primarily via π–π stacking interactions of their benzene rings [centroid–centroid distance = 3.5865 (8) Å], forming columnar stacks along the crystallographic 21 axes. These stacks are interconnected via weak C—H...O and C—H...N hydrogen bonds. |
| first_indexed | 2024-12-18T15:14:32Z |
| format | Article |
| id | doaj.art-de225830066541b397f16a609c4085c5 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-18T15:14:32Z |
| publishDate | 2010-11-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-de225830066541b397f16a609c4085c52022-12-21T21:03:33ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-11-016611o2840o284010.1107/S16005368100407781-Methanesulfonyl-1H-1,2,3-benzotriazolePetr ŠtěpničkaHana SolařováIvana CísařováThe molecular geometry of the title compound, C7H7N3O2S, does not differ much from that of the previously reported 4-toluenesulfonyl analogue. Unlike the latter compound, however, molecules of the title compound associate primarily via π–π stacking interactions of their benzene rings [centroid–centroid distance = 3.5865 (8) Å], forming columnar stacks along the crystallographic 21 axes. These stacks are interconnected via weak C—H...O and C—H...N hydrogen bonds.http://scripts.iucr.org/cgi-bin/paper?S1600536810040778 |
| spellingShingle | Petr Štěpnička Hana Solařová Ivana Císařová 1-Methanesulfonyl-1H-1,2,3-benzotriazole Acta Crystallographica Section E |
| title | 1-Methanesulfonyl-1H-1,2,3-benzotriazole |
| title_full | 1-Methanesulfonyl-1H-1,2,3-benzotriazole |
| title_fullStr | 1-Methanesulfonyl-1H-1,2,3-benzotriazole |
| title_full_unstemmed | 1-Methanesulfonyl-1H-1,2,3-benzotriazole |
| title_short | 1-Methanesulfonyl-1H-1,2,3-benzotriazole |
| title_sort | 1 methanesulfonyl 1h 1 2 3 benzotriazole |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536810040778 |
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