Ethyl 3-amino-4-(4-chlorophenyl)-2-[(4-methoxyphenyl)carbamoyl]-6-phenylthieno[2,3-b]pyridine-5-carboxylate
The conformation of the title molecule, C30H24ClN3O4S, is partially determined by an intramolecular N—H...O hydrogen bond, forming an S(6) loop, and an N—H...π interaction involving the centroid of the 4-chlorophenyl ring. The thienopyridine bicyclic system is almost planar with an r.m.s. deviation...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2016-04-01
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| Series: | IUCrData |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S241431461600657X |
| _version_ | 1818175557627543552 |
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| author | Etify A. Bakhite Joel T. Mague Shaaban K. Mohamed Mehmet Akkurt Elham A. Al-Taifi |
| author_facet | Etify A. Bakhite Joel T. Mague Shaaban K. Mohamed Mehmet Akkurt Elham A. Al-Taifi |
| author_sort | Etify A. Bakhite |
| collection | DOAJ |
| description | The conformation of the title molecule, C30H24ClN3O4S, is partially determined by an intramolecular N—H...O hydrogen bond, forming an S(6) loop, and an N—H...π interaction involving the centroid of the 4-chlorophenyl ring. The thienopyridine bicyclic system is almost planar with an r.m.s. deviation of 0.019 Å. Its mean plane is inclined to the phenyl ring, the 4-chlorophenyl ring and the 4-methoxyphenyl ring by 36.19 (7), 81.67 (7) and 12.75 (7)°, respectively. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with an R22(20) ring motif. Within the dimers, which stack along the b-axis direction, there is a weak π–π interaction [centroid-to-centroid distance = 3.7936 (9) Å] involving inversion-related thiophene and pyridine rings. |
| first_indexed | 2024-12-11T20:02:11Z |
| format | Article |
| id | doaj.art-3d9e032d65d64df1896881d8e7da955d |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-12-11T20:02:11Z |
| publishDate | 2016-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-3d9e032d65d64df1896881d8e7da955d2022-12-22T00:52:30ZengInternational Union of CrystallographyIUCrData2414-31462016-04-0114x16065710.1107/S241431461600657Xsu4032Ethyl 3-amino-4-(4-chlorophenyl)-2-[(4-methoxyphenyl)carbamoyl]-6-phenylthieno[2,3-b]pyridine-5-carboxylateEtify A. Bakhite0Joel T. Mague1Shaaban K. Mohamed2Mehmet Akkurt3Elham A. Al-Taifi4Chemistry Department, Faculty of Science, Assiut University, Assiut 71516, EgyptDepartment of Chemistry, Tulane University, New Orleans, LA 70118, USAChemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD, EnglandDepartment of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, TurkeyChemistry Department, Faculty of Science, Sana'a University, Sana'a, YemenThe conformation of the title molecule, C30H24ClN3O4S, is partially determined by an intramolecular N—H...O hydrogen bond, forming an S(6) loop, and an N—H...π interaction involving the centroid of the 4-chlorophenyl ring. The thienopyridine bicyclic system is almost planar with an r.m.s. deviation of 0.019 Å. Its mean plane is inclined to the phenyl ring, the 4-chlorophenyl ring and the 4-methoxyphenyl ring by 36.19 (7), 81.67 (7) and 12.75 (7)°, respectively. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with an R22(20) ring motif. Within the dimers, which stack along the b-axis direction, there is a weak π–π interaction [centroid-to-centroid distance = 3.7936 (9) Å] involving inversion-related thiophene and pyridine rings.http://scripts.iucr.org/cgi-bin/paper?S241431461600657Xcrystal structurethienopyridines3-aminothiopheneethyl thieno[2,3-b]pyridine-5-carboxylatehydrogen bonding |
| spellingShingle | Etify A. Bakhite Joel T. Mague Shaaban K. Mohamed Mehmet Akkurt Elham A. Al-Taifi Ethyl 3-amino-4-(4-chlorophenyl)-2-[(4-methoxyphenyl)carbamoyl]-6-phenylthieno[2,3-b]pyridine-5-carboxylate IUCrData crystal structure thienopyridines 3-aminothiophene ethyl thieno[2,3-b]pyridine-5-carboxylate hydrogen bonding |
| title | Ethyl 3-amino-4-(4-chlorophenyl)-2-[(4-methoxyphenyl)carbamoyl]-6-phenylthieno[2,3-b]pyridine-5-carboxylate |
| title_full | Ethyl 3-amino-4-(4-chlorophenyl)-2-[(4-methoxyphenyl)carbamoyl]-6-phenylthieno[2,3-b]pyridine-5-carboxylate |
| title_fullStr | Ethyl 3-amino-4-(4-chlorophenyl)-2-[(4-methoxyphenyl)carbamoyl]-6-phenylthieno[2,3-b]pyridine-5-carboxylate |
| title_full_unstemmed | Ethyl 3-amino-4-(4-chlorophenyl)-2-[(4-methoxyphenyl)carbamoyl]-6-phenylthieno[2,3-b]pyridine-5-carboxylate |
| title_short | Ethyl 3-amino-4-(4-chlorophenyl)-2-[(4-methoxyphenyl)carbamoyl]-6-phenylthieno[2,3-b]pyridine-5-carboxylate |
| title_sort | ethyl 3 amino 4 4 chlorophenyl 2 4 methoxyphenyl carbamoyl 6 phenylthieno 2 3 b pyridine 5 carboxylate |
| topic | crystal structure thienopyridines 3-aminothiophene ethyl thieno[2,3-b]pyridine-5-carboxylate hydrogen bonding |
| url | http://scripts.iucr.org/cgi-bin/paper?S241431461600657X |
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