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 |
| Published: |
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 |
| Summary: | 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. |
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