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3-Hydroxy-4-methoxybenzaldehyde thiosemicarbazone hemihydrate
The asymmetric unit of the title compound, C(9)H(11)N(3)O(2)S·0.5H(2)O, comprises two crystallograpically independent thiosemicarbazone molecules (A and B) and a water molecule of crystallization. In each of the thiosemicarbazone molecules, intramolecular O—H⋯O and N—H⋯N hydrogen bonds form fi...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959916/ https://www.ncbi.nlm.nih.gov/pubmed/21581255 http://dx.doi.org/10.1107/S1600536808035617 |
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author | Fun, Hoong-Kun Kia, Reza D’Silva, E. Deepak Patil, P. S. Dharmaprakash, S. M. |
author_facet | Fun, Hoong-Kun Kia, Reza D’Silva, E. Deepak Patil, P. S. Dharmaprakash, S. M. |
author_sort | Fun, Hoong-Kun |
collection | PubMed |
description | The asymmetric unit of the title compound, C(9)H(11)N(3)O(2)S·0.5H(2)O, comprises two crystallograpically independent thiosemicarbazone molecules (A and B) and a water molecule of crystallization. In each of the thiosemicarbazone molecules, intramolecular O—H⋯O and N—H⋯N hydrogen bonds form five-membered rings, producing S(5) ring motifs. Intermolecular O—H⋯S and N—H⋯O interactions between molecule B and the water molecule form a six-membered ring, producing an R (2) (2)(6) ring motif. Intermolecular N—H⋯S hydrogen bonds form dimers involving pairs of both A and B molecules, which form R (2) (2)(8) ring motifs. The angles between the aromatic ring and thiourea unit in the two molecules are 0.80 (6) and 3.28 (5)°, which proves that each molecule is fairly planar. The crystal structure is stabilized by intermolecular O—H⋯S (×2), O—H⋯O, N—H⋯S (×2) and N—H⋯O (×2) hydrogen bonds and C—H⋯O (×2) contacts to form a three-dimensional network. |
format | Text |
id | pubmed-2959916 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29599162010-12-30 3-Hydroxy-4-methoxybenzaldehyde thiosemicarbazone hemihydrate Fun, Hoong-Kun Kia, Reza D’Silva, E. Deepak Patil, P. S. Dharmaprakash, S. M. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(9)H(11)N(3)O(2)S·0.5H(2)O, comprises two crystallograpically independent thiosemicarbazone molecules (A and B) and a water molecule of crystallization. In each of the thiosemicarbazone molecules, intramolecular O—H⋯O and N—H⋯N hydrogen bonds form five-membered rings, producing S(5) ring motifs. Intermolecular O—H⋯S and N—H⋯O interactions between molecule B and the water molecule form a six-membered ring, producing an R (2) (2)(6) ring motif. Intermolecular N—H⋯S hydrogen bonds form dimers involving pairs of both A and B molecules, which form R (2) (2)(8) ring motifs. The angles between the aromatic ring and thiourea unit in the two molecules are 0.80 (6) and 3.28 (5)°, which proves that each molecule is fairly planar. The crystal structure is stabilized by intermolecular O—H⋯S (×2), O—H⋯O, N—H⋯S (×2) and N—H⋯O (×2) hydrogen bonds and C—H⋯O (×2) contacts to form a three-dimensional network. International Union of Crystallography 2008-11-08 /pmc/articles/PMC2959916/ /pubmed/21581255 http://dx.doi.org/10.1107/S1600536808035617 Text en © Fun et al. 2008 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 Fun, Hoong-Kun Kia, Reza D’Silva, E. Deepak Patil, P. S. Dharmaprakash, S. M. 3-Hydroxy-4-methoxybenzaldehyde thiosemicarbazone hemihydrate |
title | 3-Hydroxy-4-methoxybenzaldehyde thiosemicarbazone hemihydrate |
title_full | 3-Hydroxy-4-methoxybenzaldehyde thiosemicarbazone hemihydrate |
title_fullStr | 3-Hydroxy-4-methoxybenzaldehyde thiosemicarbazone hemihydrate |
title_full_unstemmed | 3-Hydroxy-4-methoxybenzaldehyde thiosemicarbazone hemihydrate |
title_short | 3-Hydroxy-4-methoxybenzaldehyde thiosemicarbazone hemihydrate |
title_sort | 3-hydroxy-4-methoxybenzaldehyde thiosemicarbazone hemihydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959916/ https://www.ncbi.nlm.nih.gov/pubmed/21581255 http://dx.doi.org/10.1107/S1600536808035617 |
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