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Crystal structure of (2E)-N-methyl-2-(2-oxo-1,2-dihydroacenaphthylen-1-ylidene)hydrazinecarbothioamide
In the title compound, C(14)H(11)N(3)OS, the acenaphthylene ring system and hydrazinecarbothioamide unit (=N—NH—C=S—NH–) are essentially coplanar [with maximum deviations from their mean planes of −0.009 (2) and 0.033 (2) Å, respectively], and make a dihedral angle of 1.59 (9)°. The molecular c...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257277/ https://www.ncbi.nlm.nih.gov/pubmed/25484761 http://dx.doi.org/10.1107/S1600536814023216 |
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author | Vimala, G. Govindaraj, J. Haribabu, J. Karvembu, R. SubbiahPandi, A. |
author_facet | Vimala, G. Govindaraj, J. Haribabu, J. Karvembu, R. SubbiahPandi, A. |
author_sort | Vimala, G. |
collection | PubMed |
description | In the title compound, C(14)H(11)N(3)OS, the acenaphthylene ring system and hydrazinecarbothioamide unit (=N—NH—C=S—NH–) are essentially coplanar [with maximum deviations from their mean planes of −0.009 (2) and 0.033 (2) Å, respectively], and make a dihedral angle of 1.59 (9)°. The molecular conformation is stabilized by two weak intramolecular hydrogen bonds (N—H⋯O and N—H⋯N), which generate S(6) and S(5) ring motifs. In the crystal, molecules are linked by N—H⋯S hydrogen bonds, forming chains along [010]. The chains are linked via pairs of C—H⋯O hydrogen bonds, enclosing R (2) (2)(10) ring motifs, and C—H⋯π interactions, forming a three-dimensional framework. The absolute structure of the title compound was determined by resonant scattering. |
format | Online Article Text |
id | pubmed-4257277 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-42572772014-12-05 Crystal structure of (2E)-N-methyl-2-(2-oxo-1,2-dihydroacenaphthylen-1-ylidene)hydrazinecarbothioamide Vimala, G. Govindaraj, J. Haribabu, J. Karvembu, R. SubbiahPandi, A. Acta Crystallogr Sect E Struct Rep Online Research Communications In the title compound, C(14)H(11)N(3)OS, the acenaphthylene ring system and hydrazinecarbothioamide unit (=N—NH—C=S—NH–) are essentially coplanar [with maximum deviations from their mean planes of −0.009 (2) and 0.033 (2) Å, respectively], and make a dihedral angle of 1.59 (9)°. The molecular conformation is stabilized by two weak intramolecular hydrogen bonds (N—H⋯O and N—H⋯N), which generate S(6) and S(5) ring motifs. In the crystal, molecules are linked by N—H⋯S hydrogen bonds, forming chains along [010]. The chains are linked via pairs of C—H⋯O hydrogen bonds, enclosing R (2) (2)(10) ring motifs, and C—H⋯π interactions, forming a three-dimensional framework. The absolute structure of the title compound was determined by resonant scattering. International Union of Crystallography 2014-10-24 /pmc/articles/PMC4257277/ /pubmed/25484761 http://dx.doi.org/10.1107/S1600536814023216 Text en © Vimala et al. 2014 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 | Research Communications Vimala, G. Govindaraj, J. Haribabu, J. Karvembu, R. SubbiahPandi, A. Crystal structure of (2E)-N-methyl-2-(2-oxo-1,2-dihydroacenaphthylen-1-ylidene)hydrazinecarbothioamide |
title | Crystal structure of (2E)-N-methyl-2-(2-oxo-1,2-dihydroacenaphthylen-1-ylidene)hydrazinecarbothioamide |
title_full | Crystal structure of (2E)-N-methyl-2-(2-oxo-1,2-dihydroacenaphthylen-1-ylidene)hydrazinecarbothioamide |
title_fullStr | Crystal structure of (2E)-N-methyl-2-(2-oxo-1,2-dihydroacenaphthylen-1-ylidene)hydrazinecarbothioamide |
title_full_unstemmed | Crystal structure of (2E)-N-methyl-2-(2-oxo-1,2-dihydroacenaphthylen-1-ylidene)hydrazinecarbothioamide |
title_short | Crystal structure of (2E)-N-methyl-2-(2-oxo-1,2-dihydroacenaphthylen-1-ylidene)hydrazinecarbothioamide |
title_sort | crystal structure of (2e)-n-methyl-2-(2-oxo-1,2-dihydroacenaphthylen-1-ylidene)hydrazinecarbothioamide |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257277/ https://www.ncbi.nlm.nih.gov/pubmed/25484761 http://dx.doi.org/10.1107/S1600536814023216 |
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