3,5-Bis(4-chlorobenzylidene)-1-methylpiperidin-4-one
In the title molecule, C20H17Cl2NO, the central heterocyclic ring adopts a flattened boat conformation. The dihedral angles between the planar part of this central heterocyclic ring [maximum deviation = 0.004 (1) Å] and the two almost planar side-chain fragme...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2011-04-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536811006994 |
| _version_ | 1818282643345637376 |
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| author | Volodymyr V. Nesterov Sergey S. Sarkisov Vladimir Shulaev Vladimir N. Nesterov |
| author_facet | Volodymyr V. Nesterov Sergey S. Sarkisov Vladimir Shulaev Vladimir N. Nesterov |
| author_sort | Volodymyr V. Nesterov |
| collection | DOAJ |
| description | In the title molecule, C20H17Cl2NO, the central heterocyclic ring adopts a flattened boat conformation. The dihedral angles between the planar part of this central heterocyclic ring [maximum deviation = 0.004 (1) Å] and the two almost planar side-chain fragments [maximum deviations = 0.015 (1) and 0.019 (1) Å], that include the aromatic ring and bridging atoms, are 18.1 (1) and 18.0 (1)°. In the crystal, pairs of weak intermolecular C—H...O hydrogen bonds link molecules into inversion dimers that form stacks along the a axis. The structure is further stabilized by weak intermolecular C—H...π interactions involving the benzene rings. |
| first_indexed | 2024-12-13T00:24:16Z |
| format | Article |
| id | doaj.art-fed70596600244b58320cf9da5a41f85 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-13T00:24:16Z |
| publishDate | 2011-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-fed70596600244b58320cf9da5a41f852022-12-22T00:05:28ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-04-01674o760o76110.1107/S16005368110069943,5-Bis(4-chlorobenzylidene)-1-methylpiperidin-4-oneVolodymyr V. NesterovSergey S. SarkisovVladimir ShulaevVladimir N. NesterovIn the title molecule, C20H17Cl2NO, the central heterocyclic ring adopts a flattened boat conformation. The dihedral angles between the planar part of this central heterocyclic ring [maximum deviation = 0.004 (1) Å] and the two almost planar side-chain fragments [maximum deviations = 0.015 (1) and 0.019 (1) Å], that include the aromatic ring and bridging atoms, are 18.1 (1) and 18.0 (1)°. In the crystal, pairs of weak intermolecular C—H...O hydrogen bonds link molecules into inversion dimers that form stacks along the a axis. The structure is further stabilized by weak intermolecular C—H...π interactions involving the benzene rings.http://scripts.iucr.org/cgi-bin/paper?S1600536811006994 |
| spellingShingle | Volodymyr V. Nesterov Sergey S. Sarkisov Vladimir Shulaev Vladimir N. Nesterov 3,5-Bis(4-chlorobenzylidene)-1-methylpiperidin-4-one Acta Crystallographica Section E |
| title | 3,5-Bis(4-chlorobenzylidene)-1-methylpiperidin-4-one |
| title_full | 3,5-Bis(4-chlorobenzylidene)-1-methylpiperidin-4-one |
| title_fullStr | 3,5-Bis(4-chlorobenzylidene)-1-methylpiperidin-4-one |
| title_full_unstemmed | 3,5-Bis(4-chlorobenzylidene)-1-methylpiperidin-4-one |
| title_short | 3,5-Bis(4-chlorobenzylidene)-1-methylpiperidin-4-one |
| title_sort | 3 5 bis 4 chlorobenzylidene 1 methylpiperidin 4 one |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536811006994 |
| work_keys_str_mv | AT volodymyrvnesterov 35bis4chlorobenzylidene1methylpiperidin4one AT sergeyssarkisov 35bis4chlorobenzylidene1methylpiperidin4one AT vladimirshulaev 35bis4chlorobenzylidene1methylpiperidin4one AT vladimirnnesterov 35bis4chlorobenzylidene1methylpiperidin4one |