Crystal structure of 4-methoxy-N-(piperidine-1-carbonothioyl)benzamide
In the title compound, C14H18N2O2S, the piperidine ring has a chair conformation. Its mean plane is twisted with respect to the 4-methoxybenzoyl ring, with a dihedral angle of 63.0 (3)°. The central N—C(=S)—N(H)—C(=O) bridge is twisted with an N—C—N—C torsion angle of 74.8 (6)°. In the crystal, mole...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2017-10-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989017013317 |
| _version_ | 1818870224872538112 |
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| author | Khairi Suhud Siti Aishah Hasbullah Musa Ahmad Lee Yook Heng Mohammad B. Kassim |
| author_facet | Khairi Suhud Siti Aishah Hasbullah Musa Ahmad Lee Yook Heng Mohammad B. Kassim |
| author_sort | Khairi Suhud |
| collection | DOAJ |
| description | In the title compound, C14H18N2O2S, the piperidine ring has a chair conformation. Its mean plane is twisted with respect to the 4-methoxybenzoyl ring, with a dihedral angle of 63.0 (3)°. The central N—C(=S)—N(H)—C(=O) bridge is twisted with an N—C—N—C torsion angle of 74.8 (6)°. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds, forming chains along the c-axis direction. Adjacent chains are linked by C—H...π interactions, forming layers parallel to the ac plane. The layers are linked by offset π–π interactions [intercentroid distance = 3.927 (3) Å], forming a supramolecular three-dimensional structure. |
| first_indexed | 2024-12-19T12:03:38Z |
| format | Article |
| id | doaj.art-046ef9b065264c71b4b692fb0b9988c8 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-19T12:03:38Z |
| publishDate | 2017-10-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-046ef9b065264c71b4b692fb0b9988c82022-12-21T20:22:24ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902017-10-0173101530153310.1107/S2056989017013317su4162Crystal structure of 4-methoxy-N-(piperidine-1-carbonothioyl)benzamideKhairi Suhud0Siti Aishah Hasbullah1Musa Ahmad2Lee Yook Heng3Mohammad B. Kassim4School of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 Selangor, MalaysiaSchool of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 Selangor, MalaysiaChemical Technology Program, Faculty of Science Technology, Universiti Sains Islam Malaysia, Bandar Baru Nilai, 71800 Nilai, Negeri SembilanSchool of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 Selangor, MalaysiaSchool of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 Selangor, MalaysiaIn the title compound, C14H18N2O2S, the piperidine ring has a chair conformation. Its mean plane is twisted with respect to the 4-methoxybenzoyl ring, with a dihedral angle of 63.0 (3)°. The central N—C(=S)—N(H)—C(=O) bridge is twisted with an N—C—N—C torsion angle of 74.8 (6)°. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds, forming chains along the c-axis direction. Adjacent chains are linked by C—H...π interactions, forming layers parallel to the ac plane. The layers are linked by offset π–π interactions [intercentroid distance = 3.927 (3) Å], forming a supramolecular three-dimensional structure.http://scripts.iucr.org/cgi-bin/paper?S2056989017013317crystal structurebenzoylthioureapiperidinepyrrolidinebenzamideanti-cancerhydrogen bondingC—H...π interactionsoffset π–π interactions |
| spellingShingle | Khairi Suhud Siti Aishah Hasbullah Musa Ahmad Lee Yook Heng Mohammad B. Kassim Crystal structure of 4-methoxy-N-(piperidine-1-carbonothioyl)benzamide Acta Crystallographica Section E: Crystallographic Communications crystal structure benzoylthiourea piperidine pyrrolidine benzamide anti-cancer hydrogen bonding C—H...π interactions offset π–π interactions |
| title | Crystal structure of 4-methoxy-N-(piperidine-1-carbonothioyl)benzamide |
| title_full | Crystal structure of 4-methoxy-N-(piperidine-1-carbonothioyl)benzamide |
| title_fullStr | Crystal structure of 4-methoxy-N-(piperidine-1-carbonothioyl)benzamide |
| title_full_unstemmed | Crystal structure of 4-methoxy-N-(piperidine-1-carbonothioyl)benzamide |
| title_short | Crystal structure of 4-methoxy-N-(piperidine-1-carbonothioyl)benzamide |
| title_sort | crystal structure of 4 methoxy n piperidine 1 carbonothioyl benzamide |
| topic | crystal structure benzoylthiourea piperidine pyrrolidine benzamide anti-cancer hydrogen bonding C—H...π interactions offset π–π interactions |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989017013317 |
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