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3-(2,5-Dimethylfuran-3-yl)-1H-pyrazol-5-ol–ethyl 3-(propan-2-ylidene)carbazate (1/1)
In the title 1:1 adduct, C(6)H(12)N(2)O(2)·C(9)H(10)N(2)O(2), the maximum deviations from the 1H-pyrazole-5-ol and furan rings are 0.014 (1) and 0.003 (1) Å, respectively. The dihedral angle formed between the 1H-pyrazol-5-ol and 2,5-dimethylfuran rings is 21.07 (5)°. In the crystal, pairs of inter...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009126/ https://www.ncbi.nlm.nih.gov/pubmed/21589178 http://dx.doi.org/10.1107/S1600536810043886 |
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author | Shahani, Tara Fun, Hoong-Kun Ragavan, R. Venkat Vijayakumar, V. Sarveswari, S. |
author_facet | Shahani, Tara Fun, Hoong-Kun Ragavan, R. Venkat Vijayakumar, V. Sarveswari, S. |
author_sort | Shahani, Tara |
collection | PubMed |
description | In the title 1:1 adduct, C(6)H(12)N(2)O(2)·C(9)H(10)N(2)O(2), the maximum deviations from the 1H-pyrazole-5-ol and furan rings are 0.014 (1) and 0.003 (1) Å, respectively. The dihedral angle formed between the 1H-pyrazol-5-ol and 2,5-dimethylfuran rings is 21.07 (5)°. In the crystal, pairs of intermolecular O—H⋯N hydrogen bonds form inversion dimers of the 3-(2,5-dimethylfuran-3-yl)-1H-pyrazol-5-ol species, generating R (2) (2)(8) ring motifs. Molecules are further linked by intermolecular N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds to form ribbons along the [010] direction containing bifurcated R (1) (2)(5) and R (2) (1)(7) ring motifs. Further stablization of the packing is provided by weak π–π [centroid–centroid distance = 3.5686 (15) Å] and C—H⋯π interactions. |
format | Text |
id | pubmed-3009126 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30091262010-12-30 3-(2,5-Dimethylfuran-3-yl)-1H-pyrazol-5-ol–ethyl 3-(propan-2-ylidene)carbazate (1/1) Shahani, Tara Fun, Hoong-Kun Ragavan, R. Venkat Vijayakumar, V. Sarveswari, S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title 1:1 adduct, C(6)H(12)N(2)O(2)·C(9)H(10)N(2)O(2), the maximum deviations from the 1H-pyrazole-5-ol and furan rings are 0.014 (1) and 0.003 (1) Å, respectively. The dihedral angle formed between the 1H-pyrazol-5-ol and 2,5-dimethylfuran rings is 21.07 (5)°. In the crystal, pairs of intermolecular O—H⋯N hydrogen bonds form inversion dimers of the 3-(2,5-dimethylfuran-3-yl)-1H-pyrazol-5-ol species, generating R (2) (2)(8) ring motifs. Molecules are further linked by intermolecular N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds to form ribbons along the [010] direction containing bifurcated R (1) (2)(5) and R (2) (1)(7) ring motifs. Further stablization of the packing is provided by weak π–π [centroid–centroid distance = 3.5686 (15) Å] and C—H⋯π interactions. International Union of Crystallography 2010-10-31 /pmc/articles/PMC3009126/ /pubmed/21589178 http://dx.doi.org/10.1107/S1600536810043886 Text en © Fun et al. 2010 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 Shahani, Tara Fun, Hoong-Kun Ragavan, R. Venkat Vijayakumar, V. Sarveswari, S. 3-(2,5-Dimethylfuran-3-yl)-1H-pyrazol-5-ol–ethyl 3-(propan-2-ylidene)carbazate (1/1) |
title | 3-(2,5-Dimethylfuran-3-yl)-1H-pyrazol-5-ol–ethyl 3-(propan-2-ylidene)carbazate (1/1) |
title_full | 3-(2,5-Dimethylfuran-3-yl)-1H-pyrazol-5-ol–ethyl 3-(propan-2-ylidene)carbazate (1/1) |
title_fullStr | 3-(2,5-Dimethylfuran-3-yl)-1H-pyrazol-5-ol–ethyl 3-(propan-2-ylidene)carbazate (1/1) |
title_full_unstemmed | 3-(2,5-Dimethylfuran-3-yl)-1H-pyrazol-5-ol–ethyl 3-(propan-2-ylidene)carbazate (1/1) |
title_short | 3-(2,5-Dimethylfuran-3-yl)-1H-pyrazol-5-ol–ethyl 3-(propan-2-ylidene)carbazate (1/1) |
title_sort | 3-(2,5-dimethylfuran-3-yl)-1h-pyrazol-5-ol–ethyl 3-(propan-2-ylidene)carbazate (1/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009126/ https://www.ncbi.nlm.nih.gov/pubmed/21589178 http://dx.doi.org/10.1107/S1600536810043886 |
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