Methyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate
The title compound, C14H13ClN2O2, was obtained during an attempt to grow single crystals of 4-acetylphenyl 2-[(3-chloro-2-methylphenyl)amino]nicotinate in methanol, and was probably generated by alcoholysis. Two intramolecular hydrogen bonds are formed, one between the N—H group and the carbonyl O a...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2021-05-01
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| Series: | IUCrData |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314621005393 |
| _version_ | 1818647025949868032 |
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| author | Xing Yang Sihui Long |
| author_facet | Xing Yang Sihui Long |
| author_sort | Xing Yang |
| collection | DOAJ |
| description | The title compound, C14H13ClN2O2, was obtained during an attempt to grow single crystals of 4-acetylphenyl 2-[(3-chloro-2-methylphenyl)amino]nicotinate in methanol, and was probably generated by alcoholysis. Two intramolecular hydrogen bonds are formed, one between the N—H group and the carbonyl O atom of the ester and the other between the ortho sp2CH group of the benzene ring and the pyridine N atom. Aromatic π–π stacking [shortest centroid–centroid separation = 3.598 (2) Å] is observed in the extended structure. |
| first_indexed | 2024-12-17T00:55:59Z |
| format | Article |
| id | doaj.art-84076a03ff3c41be91cbb96c85e9c7ac |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-12-17T00:55:59Z |
| publishDate | 2021-05-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-84076a03ff3c41be91cbb96c85e9c7ac2022-12-21T22:09:37ZengInternational Union of CrystallographyIUCrData2414-31462021-05-0165x21053910.1107/S2414314621005393hb4383Methyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylateXing Yang0Sihui Long1School of Chemical Engineering and Pharmacy, Wuhan Institute of Technology, Wuhan, Hubei 430205, People's Republic of ChinaSchool of Chemical Engineering and Pharmacy, Wuhan Institute of Technology, Wuhan, Hubei 430205, People's Republic of ChinaThe title compound, C14H13ClN2O2, was obtained during an attempt to grow single crystals of 4-acetylphenyl 2-[(3-chloro-2-methylphenyl)amino]nicotinate in methanol, and was probably generated by alcoholysis. Two intramolecular hydrogen bonds are formed, one between the N—H group and the carbonyl O atom of the ester and the other between the ortho sp2CH group of the benzene ring and the pyridine N atom. Aromatic π–π stacking [shortest centroid–centroid separation = 3.598 (2) Å] is observed in the extended structure.http://scripts.iucr.org/cgi-bin/paper?S2414314621005393crystal structureintramolecular hydrogen bondingπ–π stackingalcoholysis |
| spellingShingle | Xing Yang Sihui Long Methyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate IUCrData crystal structure intramolecular hydrogen bonding π–π stacking alcoholysis |
| title | Methyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate |
| title_full | Methyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate |
| title_fullStr | Methyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate |
| title_full_unstemmed | Methyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate |
| title_short | Methyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate |
| title_sort | methyl 2 3 chloro 2 methylanilino pyridine 3 carboxylate |
| topic | crystal structure intramolecular hydrogen bonding π–π stacking alcoholysis |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314621005393 |
| work_keys_str_mv | AT xingyang methyl23chloro2methylanilinopyridine3carboxylate AT sihuilong methyl23chloro2methylanilinopyridine3carboxylate |