n-Butyl 2-(3-chloro-1,2-dihydro­pyrazin-2-yl­idene)-2-cyano­acetate

The title compound, C(11)H(12)ClN(3)O(2), is essentially planar except for the n-but­oxy group [r.m.s. deviation from the least-squares plane = 0.0131 (1) Å for 11 non-H atoms]. An intra­molecular N—H⋯O inter­action results in the formation of an S(6) ring. The n-butoxy chain in the molecule is diso...

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Detalles Bibliográficos
Autores principales: Stefańska, Anita, Ossowski, Tadeusz, Ponikiewski, Łukasz
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969917/
https://www.ncbi.nlm.nih.gov/pubmed/21577566
http://dx.doi.org/10.1107/S1600536809031870
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author Stefańska, Anita
Ossowski, Tadeusz
Ponikiewski, Łukasz
author_facet Stefańska, Anita
Ossowski, Tadeusz
Ponikiewski, Łukasz
author_sort Stefańska, Anita
collection PubMed
description The title compound, C(11)H(12)ClN(3)O(2), is essentially planar except for the n-but­oxy group [r.m.s. deviation from the least-squares plane = 0.0131 (1) Å for 11 non-H atoms]. An intra­molecular N—H⋯O inter­action results in the formation of an S(6) ring. The n-butoxy chain in the molecule is disordered over two sets of sites of equal occupancy.
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spelling pubmed-29699172010-12-30 n-Butyl 2-(3-chloro-1,2-dihydro­pyrazin-2-yl­idene)-2-cyano­acetate Stefańska, Anita Ossowski, Tadeusz Ponikiewski, Łukasz Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(11)H(12)ClN(3)O(2), is essentially planar except for the n-but­oxy group [r.m.s. deviation from the least-squares plane = 0.0131 (1) Å for 11 non-H atoms]. An intra­molecular N—H⋯O inter­action results in the formation of an S(6) ring. The n-butoxy chain in the molecule is disordered over two sets of sites of equal occupancy. International Union of Crystallography 2009-08-15 /pmc/articles/PMC2969917/ /pubmed/21577566 http://dx.doi.org/10.1107/S1600536809031870 Text en © Anita et al. 2009 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
Stefańska, Anita
Ossowski, Tadeusz
Ponikiewski, Łukasz
n-Butyl 2-(3-chloro-1,2-dihydro­pyrazin-2-yl­idene)-2-cyano­acetate
title n-Butyl 2-(3-chloro-1,2-dihydro­pyrazin-2-yl­idene)-2-cyano­acetate
title_full n-Butyl 2-(3-chloro-1,2-dihydro­pyrazin-2-yl­idene)-2-cyano­acetate
title_fullStr n-Butyl 2-(3-chloro-1,2-dihydro­pyrazin-2-yl­idene)-2-cyano­acetate
title_full_unstemmed n-Butyl 2-(3-chloro-1,2-dihydro­pyrazin-2-yl­idene)-2-cyano­acetate
title_short n-Butyl 2-(3-chloro-1,2-dihydro­pyrazin-2-yl­idene)-2-cyano­acetate
title_sort n-butyl 2-(3-chloro-1,2-dihydro­pyrazin-2-yl­idene)-2-cyano­acetate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969917/
https://www.ncbi.nlm.nih.gov/pubmed/21577566
http://dx.doi.org/10.1107/S1600536809031870
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AT ossowskitadeusz nbutyl23chloro12dihydropyrazin2ylidene2cyanoacetate
AT ponikiewskiłukasz nbutyl23chloro12dihydropyrazin2ylidene2cyanoacetate

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