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Ethyl 5-{[(E)-2-(isonicotinoyl)hydrazinyl­idene]methyl}-3,4-dimethyl-1H-pyrrole-2-carboxyl­ate dihydrate

In the title compound, C(16)H(18)N(4)O(3)·2H(2)O, the dihedral angle between the pyrrole and pyridine rings in the hydrazone mol­ecule is 7.12 (3)°. In the crystal structure, inter­molecular N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds link the hydrazone and water mol­ecules into double layers parallel to...

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Autores principales: Zhang, Zhao-Po, Wang, Yuan, Lu, Ming-Jia, Jia, Lei-Wei, Qiao, Hong-Chang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120595/
https://www.ncbi.nlm.nih.gov/pubmed/21754795
http://dx.doi.org/10.1107/S1600536811017132
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author Zhang, Zhao-Po
Wang, Yuan
Lu, Ming-Jia
Jia, Lei-Wei
Qiao, Hong-Chang
author_facet Zhang, Zhao-Po
Wang, Yuan
Lu, Ming-Jia
Jia, Lei-Wei
Qiao, Hong-Chang
author_sort Zhang, Zhao-Po
collection PubMed
description In the title compound, C(16)H(18)N(4)O(3)·2H(2)O, the dihedral angle between the pyrrole and pyridine rings in the hydrazone mol­ecule is 7.12 (3)°. In the crystal structure, inter­molecular N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds link the hydrazone and water mol­ecules into double layers parallel to (101). The crystal packing exhibits weak π–π inter­actions between the pyrrole and pyridine rings of neighbouring hydrazone mol­ecules [centroid–centroid distance = 3.777 (3) Å]. The crystal studied was a non-merohedral twin, the refined ratio of twin domains being 0.73 (3):0.27 (3).
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spelling pubmed-31205952011-07-13 Ethyl 5-{[(E)-2-(isonicotinoyl)hydrazinyl­idene]methyl}-3,4-dimethyl-1H-pyrrole-2-carboxyl­ate dihydrate Zhang, Zhao-Po Wang, Yuan Lu, Ming-Jia Jia, Lei-Wei Qiao, Hong-Chang Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(18)N(4)O(3)·2H(2)O, the dihedral angle between the pyrrole and pyridine rings in the hydrazone mol­ecule is 7.12 (3)°. In the crystal structure, inter­molecular N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds link the hydrazone and water mol­ecules into double layers parallel to (101). The crystal packing exhibits weak π–π inter­actions between the pyrrole and pyridine rings of neighbouring hydrazone mol­ecules [centroid–centroid distance = 3.777 (3) Å]. The crystal studied was a non-merohedral twin, the refined ratio of twin domains being 0.73 (3):0.27 (3). International Union of Crystallography 2011-05-14 /pmc/articles/PMC3120595/ /pubmed/21754795 http://dx.doi.org/10.1107/S1600536811017132 Text en © Zhang et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Zhang, Zhao-Po
Wang, Yuan
Lu, Ming-Jia
Jia, Lei-Wei
Qiao, Hong-Chang
Ethyl 5-{[(E)-2-(isonicotinoyl)hydrazinyl­idene]methyl}-3,4-dimethyl-1H-pyrrole-2-carboxyl­ate dihydrate
title Ethyl 5-{[(E)-2-(isonicotinoyl)hydrazinyl­idene]methyl}-3,4-dimethyl-1H-pyrrole-2-carboxyl­ate dihydrate
title_full Ethyl 5-{[(E)-2-(isonicotinoyl)hydrazinyl­idene]methyl}-3,4-dimethyl-1H-pyrrole-2-carboxyl­ate dihydrate
title_fullStr Ethyl 5-{[(E)-2-(isonicotinoyl)hydrazinyl­idene]methyl}-3,4-dimethyl-1H-pyrrole-2-carboxyl­ate dihydrate
title_full_unstemmed Ethyl 5-{[(E)-2-(isonicotinoyl)hydrazinyl­idene]methyl}-3,4-dimethyl-1H-pyrrole-2-carboxyl­ate dihydrate
title_short Ethyl 5-{[(E)-2-(isonicotinoyl)hydrazinyl­idene]methyl}-3,4-dimethyl-1H-pyrrole-2-carboxyl­ate dihydrate
title_sort ethyl 5-{[(e)-2-(isonicotinoyl)hydrazinyl­idene]methyl}-3,4-dimethyl-1h-pyrrole-2-carboxyl­ate dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120595/
https://www.ncbi.nlm.nih.gov/pubmed/21754795
http://dx.doi.org/10.1107/S1600536811017132
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