Crystal and molecular structure of N-2-pyridylethyl-N-3-tolylthiourea
The crystal and molecular structure of N-2-pyridylethyl-N-3- tolylthiourea, 1, was determined. 1 crystallizes as triclinic, P-1,a = 9.024(2) Å, b = 9.718(3) Å, c = 9.765(4) Å, α = 102.26(3)°, β =114.18(3)°, γ = 103.12(2)°, V = 714.4(4) Å3, Z = 2. Both thiourea NHgroups fo...
| Autores: | , , , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2004 |
| País: | México |
| Institución: | Universidad Nacional Autónoma de México |
| Repositorio: | Redalyc-UNAM |
| OAI Identifier: | oai:redalyc.org:47548405 |
| Acceso en línea: | https://www.redalyc.org/articulo.oa?id=47548405 |
| Access Level: | acceso abierto |
| Palabra clave: | Química X Ray thioureas Hydrogen bonds |
| Sumario: | The crystal and molecular structure of N-2-pyridylethyl-N-3- tolylthiourea, 1, was determined. 1 crystallizes as triclinic, P-1,a = 9.024(2) Å, b = 9.718(3) Å, c = 9.765(4) Å, α = 102.26(3)°, β =114.18(3)°, γ = 103.12(2)°, V = 714.4(4) Å3, Z = 2. Both thiourea NHgroups form intermolecular hydrogen bonds, NH with the thionesulfur atom and the NH with the pyridine nitrogen. When comparedwith other N-2-pyridylethyl-N-arylthioureas it is observed that thecentro-symmetric NH⋅⋅⋅S hydrogen bond is always present and theNH⋅⋅⋅N always H-bonds to the pyridine N atom but in some cases asan intra-molecular H-bond and in the other as an intermolecular Hbond.This difference may be due to variables introduced by the flexibilityof the molecules, whose effects on the crystal packing can notbe predicted. |
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