Intramolecular 1,5-S...N σ-hole interaction in (E)-N′-(pyridin-4-ylmethylidene)thiophene-2-carbohydrazide

Intramolecular 1,5-S...N σ-hole interaction in (E)-N′-(pyridin-4-ylmethylidene)thiophene-2-carbohydrazide

The title compound, C11H9N3OS, (I), crystallizes in the monoclinic space group P21/n. The molecular conformation is nearly planar and features an intramolecular chalcogen bond between the thiophene S and the imine N atoms. Within the crystal, the strongest interactions between molecules are the N—H....

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Bibliographic Details
Main Authors: Valeri V. Mossine, Steven P. Kelley, Thomas P. Mawhinney
Format: Article
Language:English
Published: International Union of Crystallography 2020-04-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
4-pyridinecarboxaldehyde 2-thienyl hydrazone
chalcogen bonding
hydrogen bonding
hirshfeld surface
intermolecular interaction energies
energy frameworks
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989020003011

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http://scripts.iucr.org/cgi-bin/paper?S2056989020003011

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