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Crystal structure of 1′-ethylspiro[chroman-4,4′-imidazolidine]-2′,5′-dione: a hydantoine derivative
The title compound, C(13)H(13)N(2)O(3), a hydantoin derivative, crystallized with two molecules (A and B) in an asymmetric unit. In molecule A, the imidazolidine ring is twisted about the C—N bond involving the spiro C atom, while in molecule B this ring is flat (r.m.s. deviation = 0.010 Å). The...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647411/ https://www.ncbi.nlm.nih.gov/pubmed/26594433 http://dx.doi.org/10.1107/S2056989015016175 |
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author | Benaka Prasad, S. B. Naveen, S. Madaiah, M. Lokanath, N. K. Warad, Ismail Abdoh, Muneer |
author_facet | Benaka Prasad, S. B. Naveen, S. Madaiah, M. Lokanath, N. K. Warad, Ismail Abdoh, Muneer |
author_sort | Benaka Prasad, S. B. |
collection | PubMed |
description | The title compound, C(13)H(13)N(2)O(3), a hydantoin derivative, crystallized with two molecules (A and B) in an asymmetric unit. In molecule A, the imidazolidine ring is twisted about the C—N bond involving the spiro C atom, while in molecule B this ring is flat (r.m.s. deviation = 0.010 Å). The pyran rings in both molecules have distorted half-chair conformations. The mean plane of the imidazolidine ring is inclined to the aromatic ring of the chroman unit by 79.71 (11)° in molecule A and 82.83 (12)° in molecule B. In the crystal, pairs of N—H⋯O hydrogen bonds link the individual molecules to form A–A and B–B inversion dimers. The dimers are linked via N—H⋯O and C—H⋯O hydrogen bonds, forming sheets lying parallel to the bc plane, viz. (011). Within the sheets, the A and B molecules are linked by C—H⋯π interactions. |
format | Online Article Text |
id | pubmed-4647411 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-46474112015-11-20 Crystal structure of 1′-ethylspiro[chroman-4,4′-imidazolidine]-2′,5′-dione: a hydantoine derivative Benaka Prasad, S. B. Naveen, S. Madaiah, M. Lokanath, N. K. Warad, Ismail Abdoh, Muneer Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(13)H(13)N(2)O(3), a hydantoin derivative, crystallized with two molecules (A and B) in an asymmetric unit. In molecule A, the imidazolidine ring is twisted about the C—N bond involving the spiro C atom, while in molecule B this ring is flat (r.m.s. deviation = 0.010 Å). The pyran rings in both molecules have distorted half-chair conformations. The mean plane of the imidazolidine ring is inclined to the aromatic ring of the chroman unit by 79.71 (11)° in molecule A and 82.83 (12)° in molecule B. In the crystal, pairs of N—H⋯O hydrogen bonds link the individual molecules to form A–A and B–B inversion dimers. The dimers are linked via N—H⋯O and C—H⋯O hydrogen bonds, forming sheets lying parallel to the bc plane, viz. (011). Within the sheets, the A and B molecules are linked by C—H⋯π interactions. International Union of Crystallography 2015-09-12 /pmc/articles/PMC4647411/ /pubmed/26594433 http://dx.doi.org/10.1107/S2056989015016175 Text en © Benaka Prasad et al. 2015 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 | Data Reports Benaka Prasad, S. B. Naveen, S. Madaiah, M. Lokanath, N. K. Warad, Ismail Abdoh, Muneer Crystal structure of 1′-ethylspiro[chroman-4,4′-imidazolidine]-2′,5′-dione: a hydantoine derivative |
title | Crystal structure of 1′-ethylspiro[chroman-4,4′-imidazolidine]-2′,5′-dione: a hydantoine derivative |
title_full | Crystal structure of 1′-ethylspiro[chroman-4,4′-imidazolidine]-2′,5′-dione: a hydantoine derivative |
title_fullStr | Crystal structure of 1′-ethylspiro[chroman-4,4′-imidazolidine]-2′,5′-dione: a hydantoine derivative |
title_full_unstemmed | Crystal structure of 1′-ethylspiro[chroman-4,4′-imidazolidine]-2′,5′-dione: a hydantoine derivative |
title_short | Crystal structure of 1′-ethylspiro[chroman-4,4′-imidazolidine]-2′,5′-dione: a hydantoine derivative |
title_sort | crystal structure of 1′-ethylspiro[chroman-4,4′-imidazolidine]-2′,5′-dione: a hydantoine derivative |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647411/ https://www.ncbi.nlm.nih.gov/pubmed/26594433 http://dx.doi.org/10.1107/S2056989015016175 |
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