N-(6-Methoxypyridin-2-yl)-1-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide: crystal structure and Hirshfeld surface analysis

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

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Official URL: http://doi.org/10.1107/S2056989018011477


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.

Item Type: Article
Additional Information: This article has supporting information at journals.iucr.org/e
Uncontrolled Keywords: crystal structure; pyrazolyl; pyridyl; Hirshfeld surface analysis
Subjects: Q Science > QD Chemistry
Divisions: Sunway University > School of Engineering and Technology [formerly School of Science and Technology until 2020] > Research Centre for Crystalline Materials moved to SMLS wef 2021
Depositing User: Dr Janaki Sinnasamy
Related URLs:
Date Deposited: 21 Aug 2018 02:53
Last Modified: 07 Oct 2020 09:00
URI: http://eprints.sunway.edu.my/id/eprint/887

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