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N′-[(E)-2-Hy­droxy-5-iodo­benzyl­idene]furan-2-carbohydrazide monohydrate

The organic mol­ecule of the title monohydrate, C(12)H(9)IN(2)O(3)·H(2)O, features a disordered furyl ring with the major component [site occupancy = 0.575 (18)] having the carbonyl O and furyl O atoms syn, and the other conformation having these atoms anti. The mol­ecule is slightly twisted with th...

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Autores principales: Bikas, Rahman, Anarjan, Parisa Mahboubi, Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275173/
https://www.ncbi.nlm.nih.gov/pubmed/22347029
http://dx.doi.org/10.1107/S1600536811055826
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author Bikas, Rahman
Anarjan, Parisa Mahboubi
Ng, Seik Weng
Tiekink, Edward R. T.
author_facet Bikas, Rahman
Anarjan, Parisa Mahboubi
Ng, Seik Weng
Tiekink, Edward R. T.
author_sort Bikas, Rahman
collection PubMed
description The organic mol­ecule of the title monohydrate, C(12)H(9)IN(2)O(3)·H(2)O, features a disordered furyl ring with the major component [site occupancy = 0.575 (18)] having the carbonyl O and furyl O atoms syn, and the other conformation having these atoms anti. The mol­ecule is slightly twisted with the dihedral angle between the benzene and furyl rings being 10.3 (6)° (major component). An intra­molecular O—H⋯N(imine) hydrogen bond is formed. In the crystal, the water mol­ecule accepts a hydrogen bond from an amine H atom, and forms two O—H⋯O(carbon­yl) hydrogen bonds, thereby linking three different carbohydrazide mol­ecules. The result is a supra­molecular layer parallel to (001). The closest contacts between layers are of the type I⋯I, at a distance of 3.6986 (6) Å.
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spelling pubmed-32751732012-02-15 N′-[(E)-2-Hy­droxy-5-iodo­benzyl­idene]furan-2-carbohydrazide monohydrate Bikas, Rahman Anarjan, Parisa Mahboubi Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers The organic mol­ecule of the title monohydrate, C(12)H(9)IN(2)O(3)·H(2)O, features a disordered furyl ring with the major component [site occupancy = 0.575 (18)] having the carbonyl O and furyl O atoms syn, and the other conformation having these atoms anti. The mol­ecule is slightly twisted with the dihedral angle between the benzene and furyl rings being 10.3 (6)° (major component). An intra­molecular O—H⋯N(imine) hydrogen bond is formed. In the crystal, the water mol­ecule accepts a hydrogen bond from an amine H atom, and forms two O—H⋯O(carbon­yl) hydrogen bonds, thereby linking three different carbohydrazide mol­ecules. The result is a supra­molecular layer parallel to (001). The closest contacts between layers are of the type I⋯I, at a distance of 3.6986 (6) Å. International Union of Crystallography 2012-01-14 /pmc/articles/PMC3275173/ /pubmed/22347029 http://dx.doi.org/10.1107/S1600536811055826 Text en © Bikas et al. 2012 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
Bikas, Rahman
Anarjan, Parisa Mahboubi
Ng, Seik Weng
Tiekink, Edward R. T.
N′-[(E)-2-Hy­droxy-5-iodo­benzyl­idene]furan-2-carbohydrazide monohydrate
title N′-[(E)-2-Hy­droxy-5-iodo­benzyl­idene]furan-2-carbohydrazide monohydrate
title_full N′-[(E)-2-Hy­droxy-5-iodo­benzyl­idene]furan-2-carbohydrazide monohydrate
title_fullStr N′-[(E)-2-Hy­droxy-5-iodo­benzyl­idene]furan-2-carbohydrazide monohydrate
title_full_unstemmed N′-[(E)-2-Hy­droxy-5-iodo­benzyl­idene]furan-2-carbohydrazide monohydrate
title_short N′-[(E)-2-Hy­droxy-5-iodo­benzyl­idene]furan-2-carbohydrazide monohydrate
title_sort n′-[(e)-2-hy­droxy-5-iodo­benzyl­idene]furan-2-carbohydrazide monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275173/
https://www.ncbi.nlm.nih.gov/pubmed/22347029
http://dx.doi.org/10.1107/S1600536811055826
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