2-[(Z)-4,7-Dichloro-3,3-dimethyl-2,3-dihydro-1H-indol-2-yl­idene]-3-oxopropane­nitrile

In the title compound, C(13)H(10)Cl(2)N(2)O, the ring N atom and its three attached atoms are essentially coplanar with angles adding to 359.8°, indicating conjugation with the 2-formyl­acrylonitrile subunit. The aldehyde group is oriented to place the carbonyl O atom 2.02 (3) Å from the N—H hydroge...

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Autores principales: Helliwell, Madeleine, Baradarani, Mehdi M., Mohammadnejadaghdam, Razieh, Afghan, Arash, Joule, John A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254565/
https://www.ncbi.nlm.nih.gov/pubmed/22259515
http://dx.doi.org/10.1107/S1600536811053906
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author Helliwell, Madeleine
Baradarani, Mehdi M.
Mohammadnejadaghdam, Razieh
Afghan, Arash
Joule, John A.
author_facet Helliwell, Madeleine
Baradarani, Mehdi M.
Mohammadnejadaghdam, Razieh
Afghan, Arash
Joule, John A.
author_sort Helliwell, Madeleine
collection PubMed
description In the title compound, C(13)H(10)Cl(2)N(2)O, the ring N atom and its three attached atoms are essentially coplanar with angles adding to 359.8°, indicating conjugation with the 2-formyl­acrylonitrile subunit. The aldehyde group is oriented to place the carbonyl O atom 2.02 (3) Å from the N—H hydrogen atom. Intra­molecular N—H⋯O and C—H⋯Cl inter­actions occur. The geometry of the exocyclic double bond is Z. In the crystal, weak C—H⋯N hydrogen bonds link the mol­ecules into chains along [1[Image: see text]0].
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spelling pubmed-32545652012-01-18 2-[(Z)-4,7-Dichloro-3,3-dimethyl-2,3-dihydro-1H-indol-2-yl­idene]-3-oxopropane­nitrile Helliwell, Madeleine Baradarani, Mehdi M. Mohammadnejadaghdam, Razieh Afghan, Arash Joule, John A. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(13)H(10)Cl(2)N(2)O, the ring N atom and its three attached atoms are essentially coplanar with angles adding to 359.8°, indicating conjugation with the 2-formyl­acrylonitrile subunit. The aldehyde group is oriented to place the carbonyl O atom 2.02 (3) Å from the N—H hydrogen atom. Intra­molecular N—H⋯O and C—H⋯Cl inter­actions occur. The geometry of the exocyclic double bond is Z. In the crystal, weak C—H⋯N hydrogen bonds link the mol­ecules into chains along [1[Image: see text]0]. International Union of Crystallography 2011-12-23 /pmc/articles/PMC3254565/ /pubmed/22259515 http://dx.doi.org/10.1107/S1600536811053906 Text en © Helliwell 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
Helliwell, Madeleine
Baradarani, Mehdi M.
Mohammadnejadaghdam, Razieh
Afghan, Arash
Joule, John A.
2-[(Z)-4,7-Dichloro-3,3-dimethyl-2,3-dihydro-1H-indol-2-yl­idene]-3-oxopropane­nitrile
title 2-[(Z)-4,7-Dichloro-3,3-dimethyl-2,3-dihydro-1H-indol-2-yl­idene]-3-oxopropane­nitrile
title_full 2-[(Z)-4,7-Dichloro-3,3-dimethyl-2,3-dihydro-1H-indol-2-yl­idene]-3-oxopropane­nitrile
title_fullStr 2-[(Z)-4,7-Dichloro-3,3-dimethyl-2,3-dihydro-1H-indol-2-yl­idene]-3-oxopropane­nitrile
title_full_unstemmed 2-[(Z)-4,7-Dichloro-3,3-dimethyl-2,3-dihydro-1H-indol-2-yl­idene]-3-oxopropane­nitrile
title_short 2-[(Z)-4,7-Dichloro-3,3-dimethyl-2,3-dihydro-1H-indol-2-yl­idene]-3-oxopropane­nitrile
title_sort 2-[(z)-4,7-dichloro-3,3-dimethyl-2,3-dihydro-1h-indol-2-yl­idene]-3-oxopropane­nitrile
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254565/
https://www.ncbi.nlm.nih.gov/pubmed/22259515
http://dx.doi.org/10.1107/S1600536811053906
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