Methyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate
In the title compound, C7H6F3NO2, all the non-H atoms except for one of the F atoms lie on a crystallographic mirror plane. In the crystal, the molecules are linked into inversion dimers by pairs of C—H...F interactions, forming R22(10) loops. These dimers are connected into C(6) chains al...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2013-10-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S160053681302549X |
| _version_ | 1819289003008983040 |
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| author | P. A. Suchetan S. Sreenivasa B. S. Palakshamurthy K. E. ManojKumar S Madan Kumar N. K. Lokanath |
| author_facet | P. A. Suchetan S. Sreenivasa B. S. Palakshamurthy K. E. ManojKumar S Madan Kumar N. K. Lokanath |
| author_sort | P. A. Suchetan |
| collection | DOAJ |
| description | In the title compound, C7H6F3NO2, all the non-H atoms except for one of the F atoms lie on a crystallographic mirror plane. In the crystal, the molecules are linked into inversion dimers by pairs of C—H...F interactions, forming R22(10) loops. These dimers are connected into C(6) chains along [001] through N—H...O hydrogen bonds. Aromatic π–π stacking interactions [centroid-centroid separation = 3.8416 (10) A°] connect the molecules into a three-dimensional network. |
| first_indexed | 2024-12-24T02:59:56Z |
| format | Article |
| id | doaj.art-87a5da55d3914f2aba790b44565358d4 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-24T02:59:56Z |
| publishDate | 2013-10-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-87a5da55d3914f2aba790b44565358d42022-12-21T17:18:16ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-10-016910o1566o156610.1107/S160053681302549XMethyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylateP. A. SuchetanS. SreenivasaB. S. PalakshamurthyK. E. ManojKumarS Madan KumarN. K. LokanathIn the title compound, C7H6F3NO2, all the non-H atoms except for one of the F atoms lie on a crystallographic mirror plane. In the crystal, the molecules are linked into inversion dimers by pairs of C—H...F interactions, forming R22(10) loops. These dimers are connected into C(6) chains along [001] through N—H...O hydrogen bonds. Aromatic π–π stacking interactions [centroid-centroid separation = 3.8416 (10) A°] connect the molecules into a three-dimensional network.http://scripts.iucr.org/cgi-bin/paper?S160053681302549X |
| spellingShingle | P. A. Suchetan S. Sreenivasa B. S. Palakshamurthy K. E. ManojKumar S Madan Kumar N. K. Lokanath Methyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Acta Crystallographica Section E |
| title | Methyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate |
| title_full | Methyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate |
| title_fullStr | Methyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate |
| title_full_unstemmed | Methyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate |
| title_short | Methyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate |
| title_sort | methyl 4 trifluoromethyl 1h pyrrole 3 carboxylate |
| url | http://scripts.iucr.org/cgi-bin/paper?S160053681302549X |
| work_keys_str_mv | AT pasuchetan methyl4trifluoromethyl1hpyrrole3carboxylate AT ssreenivasa methyl4trifluoromethyl1hpyrrole3carboxylate AT bspalakshamurthy methyl4trifluoromethyl1hpyrrole3carboxylate AT kemanojkumar methyl4trifluoromethyl1hpyrrole3carboxylate AT smadankumar methyl4trifluoromethyl1hpyrrole3carboxylate AT nklokanath methyl4trifluoromethyl1hpyrrole3carboxylate |