N-(6-Methoxypyridin-2-yl)-1-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide: crystal structure and Hirshfeld surface analysis
The title compound, C16H15N5O2, adopts the shape of the letter L with the dihedral angle between the outer pyridyl rings being 78.37 (5); the dihedral angles between the central pyrazolyl ring (r.m.s. deviation = 0.0023 A˚ ) and the methylene-bound pyridyl and methyoxypyridyl rings are 77.68 (5) and...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2018
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| Subjects: | |
| Online Access: | http://eprints.sunway.edu.my/887/ http://eprints.sunway.edu.my/887/1/N%206%20Methoxypyridin%202%20yl.pdf |
| _version_ | 1848801920344391680 |
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| author | Ramani, Vivek C Shah, Rina D Jotani, Mukesh M. Tiekink, Edward R. T. * |
| author_facet | Ramani, Vivek C Shah, Rina D Jotani, Mukesh M. Tiekink, Edward R. T. * |
| author_sort | Ramani, Vivek C |
| building | SU Institutional Repository |
| collection | Online Access |
| description | The title compound, C16H15N5O2, adopts the shape of the letter L with the dihedral angle between the outer pyridyl rings being 78.37 (5); the dihedral angles between the central pyrazolyl ring (r.m.s. deviation = 0.0023 A˚ ) and the methylene-bound pyridyl and methyoxypyridyl rings are 77.68 (5) and 7.84 (10), respectively. Intramolecular amide-N—HN(pyrazolyl) and
pyridyl-C—HO(amide) interactions are evident and these preclude the participation of the amide-N—H and O atoms in intermolecular interactions.
The most notable feature of the molecular packing is the formation of linear supramolecular chains aligned along the b-axis direction mediated by weak
carbonyl-C O(triazolyl) interactions. An analysis of the calculated Hirshfeld surfaces point to the importance of HH (46.4%), CH (22.4%), OH (11.9%) and NH (11.1%) contacts in the crystal. |
| first_indexed | 2025-11-14T21:15:07Z |
| format | Article |
| id | sunway-887 |
| institution | Sunway University |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T21:15:07Z |
| publishDate | 2018 |
| publisher | International Union of Crystallography |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | sunway-8872020-10-07T09:00:52Z http://eprints.sunway.edu.my/887/ N-(6-Methoxypyridin-2-yl)-1-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide: crystal structure and Hirshfeld surface analysis Ramani, Vivek C Shah, Rina D Jotani, Mukesh M. Tiekink, Edward R. T. * QD Chemistry The title compound, C16H15N5O2, adopts the shape of the letter L with the dihedral angle between the outer pyridyl rings being 78.37 (5); the dihedral angles between the central pyrazolyl ring (r.m.s. deviation = 0.0023 A˚ ) and the methylene-bound pyridyl and methyoxypyridyl rings are 77.68 (5) and 7.84 (10), respectively. Intramolecular amide-N—HN(pyrazolyl) and pyridyl-C—HO(amide) interactions are evident and these preclude the participation of the amide-N—H and O atoms in intermolecular interactions. The most notable feature of the molecular packing is the formation of linear supramolecular chains aligned along the b-axis direction mediated by weak carbonyl-C O(triazolyl) interactions. An analysis of the calculated Hirshfeld surfaces point to the importance of HH (46.4%), CH (22.4%), OH (11.9%) and NH (11.1%) contacts in the crystal. International Union of Crystallography 2018-08-12 Article PeerReviewed text en cc_by_ncuk http://eprints.sunway.edu.my/887/1/N%206%20Methoxypyridin%202%20yl.pdf Ramani, Vivek C and Shah, Rina D and Jotani, Mukesh M. and Tiekink, Edward R. T. * (2018) N-(6-Methoxypyridin-2-yl)-1-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide: crystal structure and Hirshfeld surface analysis. Acta Crystallographica Section E Crystallographic Communications, 74 (9). pp. 1254-1258. ISSN 2056-9890 http://doi.org/10.1107/S2056989018011477 doi:10.1107/S2056989018011477 |
| spellingShingle | QD Chemistry Ramani, Vivek C Shah, Rina D Jotani, Mukesh M. Tiekink, Edward R. T. * N-(6-Methoxypyridin-2-yl)-1-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide: crystal structure and Hirshfeld surface analysis |
| title | N-(6-Methoxypyridin-2-yl)-1-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide: crystal structure and Hirshfeld surface analysis |
| title_full | N-(6-Methoxypyridin-2-yl)-1-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide: crystal structure and Hirshfeld surface analysis |
| title_fullStr | N-(6-Methoxypyridin-2-yl)-1-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide: crystal structure and Hirshfeld surface analysis |
| title_full_unstemmed | N-(6-Methoxypyridin-2-yl)-1-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide: crystal structure and Hirshfeld surface analysis |
| title_short | N-(6-Methoxypyridin-2-yl)-1-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide: crystal structure and Hirshfeld surface analysis |
| title_sort | n-(6-methoxypyridin-2-yl)-1-(pyridin-2-ylmethyl)-1h-pyrazole-3-carboxamide: crystal structure and hirshfeld surface analysis |
| topic | QD Chemistry |
| url | http://eprints.sunway.edu.my/887/ http://eprints.sunway.edu.my/887/ http://eprints.sunway.edu.my/887/ http://eprints.sunway.edu.my/887/1/N%206%20Methoxypyridin%202%20yl.pdf |