Cargando…
Crystal structure of 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
The title compound, C(12)H(9)N(3)O(2), was obtained as a cyclized oxadiazole derivative from substituted thiosemicarbazide in the presence of manganese(II) acetate. The furan ring is disordered over two orientations, with occupancies of 0.76 (2) and 0.24 (2). The dihedral angles between the centra...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645015/ https://www.ncbi.nlm.nih.gov/pubmed/26594577 http://dx.doi.org/10.1107/S2056989015019453 |
_version_ | 1782400742686982144 |
---|---|
author | Paswan, Santosh Bharty, Manoj K. Kumari, Sanyucta Gupta, Sushil K. Singh, Nand K. |
author_facet | Paswan, Santosh Bharty, Manoj K. Kumari, Sanyucta Gupta, Sushil K. Singh, Nand K. |
author_sort | Paswan, Santosh |
collection | PubMed |
description | The title compound, C(12)H(9)N(3)O(2), was obtained as a cyclized oxadiazole derivative from substituted thiosemicarbazide in the presence of manganese(II) acetate. The furan ring is disordered over two orientations, with occupancies of 0.76 (2) and 0.24 (2). The dihedral angles between the central oxadiazole ring and the pendant phenyl ring and furan ring (major disorder component) are 3.34 (18) and 5.7 (6)°, respectively. A short intramolecular C—H⋯O contact generates an S(6) ring. In the crystal, inversion dimers linked by pairs of N—H⋯N hydrogen bonds generate R (2) (2)[8] loops. The dimers are linked by C—H⋯π and π–π interactions [range of centroid–centroid distances = 3.291 (2)–3.460 (8) Å], generating a three-dimensional network. |
format | Online Article Text |
id | pubmed-4645015 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-46450152015-11-20 Crystal structure of 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine Paswan, Santosh Bharty, Manoj K. Kumari, Sanyucta Gupta, Sushil K. Singh, Nand K. Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(12)H(9)N(3)O(2), was obtained as a cyclized oxadiazole derivative from substituted thiosemicarbazide in the presence of manganese(II) acetate. The furan ring is disordered over two orientations, with occupancies of 0.76 (2) and 0.24 (2). The dihedral angles between the central oxadiazole ring and the pendant phenyl ring and furan ring (major disorder component) are 3.34 (18) and 5.7 (6)°, respectively. A short intramolecular C—H⋯O contact generates an S(6) ring. In the crystal, inversion dimers linked by pairs of N—H⋯N hydrogen bonds generate R (2) (2)[8] loops. The dimers are linked by C—H⋯π and π–π interactions [range of centroid–centroid distances = 3.291 (2)–3.460 (8) Å], generating a three-dimensional network. International Union of Crystallography 2015-10-24 /pmc/articles/PMC4645015/ /pubmed/26594577 http://dx.doi.org/10.1107/S2056989015019453 Text en © Paswan 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 Paswan, Santosh Bharty, Manoj K. Kumari, Sanyucta Gupta, Sushil K. Singh, Nand K. Crystal structure of 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine |
title | Crystal structure of 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine |
title_full | Crystal structure of 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine |
title_fullStr | Crystal structure of 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine |
title_full_unstemmed | Crystal structure of 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine |
title_short | Crystal structure of 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine |
title_sort | crystal structure of 5-(furan-2-yl)-n-phenyl-1,3,4-oxadiazol-2-amine |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645015/ https://www.ncbi.nlm.nih.gov/pubmed/26594577 http://dx.doi.org/10.1107/S2056989015019453 |
work_keys_str_mv | AT paswansantosh crystalstructureof5furan2ylnphenyl134oxadiazol2amine AT bhartymanojk crystalstructureof5furan2ylnphenyl134oxadiazol2amine AT kumarisanyucta crystalstructureof5furan2ylnphenyl134oxadiazol2amine AT guptasushilk crystalstructureof5furan2ylnphenyl134oxadiazol2amine AT singhnandk crystalstructureof5furan2ylnphenyl134oxadiazol2amine |