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4-Cyano-N-ethyl­spiro­[chromene-2,4′-piperidine]-1′-carboxamide

The title compound, C(17)H(19)N(3)O(2), crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. In both mol­ecules, the pyran ring has a twisted conformation ((5) S (4)), with Q = 0.301 (3) Å, θ = 116.7 (6) and ϕ= 213.6 (7)° for mol­ecule A, and Q = 0.364 (2) Å, θ = 113.7 (3)...

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Detalles Bibliográficos
Autores principales: Rajalakshmi, P., Srinivasan, N., Krishnakumar, R. V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588295/
https://www.ncbi.nlm.nih.gov/pubmed/23476394
http://dx.doi.org/10.1107/S1600536812051124
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author Rajalakshmi, P.
Srinivasan, N.
Krishnakumar, R. V.
author_facet Rajalakshmi, P.
Srinivasan, N.
Krishnakumar, R. V.
author_sort Rajalakshmi, P.
collection PubMed
description The title compound, C(17)H(19)N(3)O(2), crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. In both mol­ecules, the pyran ring has a twisted conformation ((5) S (4)), with Q = 0.301 (3) Å, θ = 116.7 (6) and ϕ= 213.6 (7)° for mol­ecule A, and Q = 0.364 (2) Å, θ = 113.7 (3) and ϕ = 213.0 (4)° for mol­ecule B. In mol­ecule B, the terminal ethyl group is disordered over two orientations with an occupancy ratio of 0.55 (1):0.45 (1). In the crystal, mol­ecules A and B form very similar but separate R (1) (2)(7) motifs through N—H⋯O and C—H⋯O hydrogen bonds. The resulting chains along [001] are inter­linked by weaker C—H⋯O and C—H⋯π inter­actions, forming layers parallel to the bc plane.
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spelling pubmed-35882952013-03-08 4-Cyano-N-ethyl­spiro­[chromene-2,4′-piperidine]-1′-carboxamide Rajalakshmi, P. Srinivasan, N. Krishnakumar, R. V. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(17)H(19)N(3)O(2), crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. In both mol­ecules, the pyran ring has a twisted conformation ((5) S (4)), with Q = 0.301 (3) Å, θ = 116.7 (6) and ϕ= 213.6 (7)° for mol­ecule A, and Q = 0.364 (2) Å, θ = 113.7 (3) and ϕ = 213.0 (4)° for mol­ecule B. In mol­ecule B, the terminal ethyl group is disordered over two orientations with an occupancy ratio of 0.55 (1):0.45 (1). In the crystal, mol­ecules A and B form very similar but separate R (1) (2)(7) motifs through N—H⋯O and C—H⋯O hydrogen bonds. The resulting chains along [001] are inter­linked by weaker C—H⋯O and C—H⋯π inter­actions, forming layers parallel to the bc plane. International Union of Crystallography 2012-12-22 /pmc/articles/PMC3588295/ /pubmed/23476394 http://dx.doi.org/10.1107/S1600536812051124 Text en © Rajalakshmi et al. 2013 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
Rajalakshmi, P.
Srinivasan, N.
Krishnakumar, R. V.
4-Cyano-N-ethyl­spiro­[chromene-2,4′-piperidine]-1′-carboxamide
title 4-Cyano-N-ethyl­spiro­[chromene-2,4′-piperidine]-1′-carboxamide
title_full 4-Cyano-N-ethyl­spiro­[chromene-2,4′-piperidine]-1′-carboxamide
title_fullStr 4-Cyano-N-ethyl­spiro­[chromene-2,4′-piperidine]-1′-carboxamide
title_full_unstemmed 4-Cyano-N-ethyl­spiro­[chromene-2,4′-piperidine]-1′-carboxamide
title_short 4-Cyano-N-ethyl­spiro­[chromene-2,4′-piperidine]-1′-carboxamide
title_sort 4-cyano-n-ethyl­spiro­[chromene-2,4′-piperidine]-1′-carboxamide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588295/
https://www.ncbi.nlm.nih.gov/pubmed/23476394
http://dx.doi.org/10.1107/S1600536812051124
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