1-[(3RS,4RS)-1-Benzyl-4-methylpiperidin-3-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine hemihydrate
The benzyl residue in the title compound, C21H23N5·0.5H2O, is oriented at a dihedral angle of 83.8 (3)° towards the 1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine system. The piperidine ring adopts a chair conformation with the cis substituents displaying a t...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2012-10-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536812039980 |
| _version_ | 1818941307983233024 |
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| author | Ellen Pfaffenrot Dieter Schollmeyer Stefan Laufer |
| author_facet | Ellen Pfaffenrot Dieter Schollmeyer Stefan Laufer |
| author_sort | Ellen Pfaffenrot |
| collection | DOAJ |
| description | The benzyl residue in the title compound, C21H23N5·0.5H2O, is oriented at a dihedral angle of 83.8 (3)° towards the 1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine system. The piperidine ring adopts a chair conformation with the cis substituents displaying a torsion angle of −45.91 (16)°. In the crystal, molecules are accumulated as racemic dimers by two intermolecular hydrogen bonds between the pyrrolopyridine systems. Another hydrogen bond is formed between the imidazole ring and the cocrystallized water molecule, which is located on a twofold rotation axis. |
| first_indexed | 2024-12-20T06:53:28Z |
| format | Article |
| id | doaj.art-6716c4d4e47847028b2ef544006680ce |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-20T06:53:28Z |
| publishDate | 2012-10-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-6716c4d4e47847028b2ef544006680ce2022-12-21T19:49:27ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-10-016810o3052o305210.1107/S16005368120399801-[(3RS,4RS)-1-Benzyl-4-methylpiperidin-3-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine hemihydrateEllen PfaffenrotDieter SchollmeyerStefan LauferThe benzyl residue in the title compound, C21H23N5·0.5H2O, is oriented at a dihedral angle of 83.8 (3)° towards the 1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine system. The piperidine ring adopts a chair conformation with the cis substituents displaying a torsion angle of −45.91 (16)°. In the crystal, molecules are accumulated as racemic dimers by two intermolecular hydrogen bonds between the pyrrolopyridine systems. Another hydrogen bond is formed between the imidazole ring and the cocrystallized water molecule, which is located on a twofold rotation axis.http://scripts.iucr.org/cgi-bin/paper?S1600536812039980 |
| spellingShingle | Ellen Pfaffenrot Dieter Schollmeyer Stefan Laufer 1-[(3RS,4RS)-1-Benzyl-4-methylpiperidin-3-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine hemihydrate Acta Crystallographica Section E |
| title | 1-[(3RS,4RS)-1-Benzyl-4-methylpiperidin-3-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine hemihydrate |
| title_full | 1-[(3RS,4RS)-1-Benzyl-4-methylpiperidin-3-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine hemihydrate |
| title_fullStr | 1-[(3RS,4RS)-1-Benzyl-4-methylpiperidin-3-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine hemihydrate |
| title_full_unstemmed | 1-[(3RS,4RS)-1-Benzyl-4-methylpiperidin-3-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine hemihydrate |
| title_short | 1-[(3RS,4RS)-1-Benzyl-4-methylpiperidin-3-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine hemihydrate |
| title_sort | 1 3rs 4rs 1 benzyl 4 methylpiperidin 3 yl 1 6 dihydroimidazo 4 5 d pyrrolo 2 3 b pyridine hemihydrate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536812039980 |
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