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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...

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Autores principales: Fun, Hoong-Kun, Kia, Reza, D’Silva, E. Deepak, Patil, P. S., Dharmaprakash, S. M.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
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.
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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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