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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)...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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. |
format | Online Article Text |
id | pubmed-3588295 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT rajalakshmip 4cyanonethylspirochromene24piperidine1carboxamide AT srinivasann 4cyanonethylspirochromene24piperidine1carboxamide AT krishnakumarrv 4cyanonethylspirochromene24piperidine1carboxamide |