N,N′-Bis(pyridin-3-ylmethyl)ethanediamide monohydrate: crystal structure, Hirshfeld surface analysis and computational study

N,N′-Bis(pyridin-3-ylmethyl)ethanediamide monohydrate: crystal structure, Hirshfeld surface analysis and computational study

The molecular structure of the title bis-pyridyl substituted diamide hydrate, C14H14N4O2·H2O, features a central C2N2O2 residue (r.m.s. deviation = 0.0205 Å) linked at each end to 3-pyridyl rings through methylene groups. The pyridyl rings lie to the same side of the plane, i.e. have a syn-periplana...

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Bibliographic Details
Main Authors: Sang Loon Tan, Edward R. T. Tiekink
Format: Article
Language:English
Published: International Union of Crystallography 2020-01-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
diamide
hydrogen bonding
hirshfeld surface analysis
computational chemistry
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989019016153

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http://scripts.iucr.org/cgi-bin/paper?S2056989019016153

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