1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone
The title molecule, C9H7BrN4OS, is essentially planar [r.m.s. deviation = 0.066 (2) Å], the maximum deviation from the mean plane through the non-H atoms being 0.190 (3) Å for the terminal amine N atom. In the crystal, molecules are linked through N—H⋯O and N—H⋯S interactions, generating infinite...
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| Format: | Online |
| Language: | English |
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International Union of Crystallography
2013
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793752/ |
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pubmed-3793752 |
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oai_dc |
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pubmed-37937522013-10-09 1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone Bandeira, Katlen C. T. Bresolin, Leandro Näther, Christian Jess, Inke Oliveira, Adriano B. Organic Papers The title molecule, C9H7BrN4OS, is essentially planar [r.m.s. deviation = 0.066 (2) Å], the maximum deviation from the mean plane through the non-H atoms being 0.190 (3) Å for the terminal amine N atom. In the crystal, molecules are linked through N—H⋯O and N—H⋯S interactions, generating infinite chains along the b-axis direction. In turn, the chains are stacked along the a axis via π–π interactions [centroid–centroid distance = 3.470 (2) Å] and further connected by N—H⋯Br interactions into a three-dimensional network. An intramolecular N—H⋯O hydrogen bond is also observed. International Union of Crystallography 2013-07-13 /pmc/articles/PMC3793752/ /pubmed/24109339 http://dx.doi.org/10.1107/S1600536813018564 Text en © Bandeira et al. 2013 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. |
| repository_type |
Open Access Journal |
| institution_category |
Foreign Institution |
| institution |
US National Center for Biotechnology Information |
| building |
NCBI PubMed |
| collection |
Online Access |
| language |
English |
| format |
Online |
| author |
Bandeira, Katlen C. T. Bresolin, Leandro Näther, Christian Jess, Inke Oliveira, Adriano B. |
| spellingShingle |
Bandeira, Katlen C. T. Bresolin, Leandro Näther, Christian Jess, Inke Oliveira, Adriano B. 1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone |
| author_facet |
Bandeira, Katlen C. T. Bresolin, Leandro Näther, Christian Jess, Inke Oliveira, Adriano B. |
| author_sort |
Bandeira, Katlen C. T. |
| title |
1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone |
| title_short |
1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone |
| title_full |
1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone |
| title_fullStr |
1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone |
| title_full_unstemmed |
1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone |
| title_sort |
1-(5-bromo-2-oxoindolin-3-ylidene)thiosemicarbazone |
| description |
The title molecule, C9H7BrN4OS, is essentially planar [r.m.s. deviation = 0.066 (2) Å], the maximum deviation from the mean plane through the non-H atoms being 0.190 (3) Å for the terminal amine N atom. In the crystal, molecules are linked through N—H⋯O and N—H⋯S interactions, generating infinite chains along the b-axis direction. In turn, the chains are stacked along the a axis via π–π interactions [centroid–centroid distance = 3.470 (2) Å] and further connected by N—H⋯Br interactions into a three-dimensional network. An intramolecular N—H⋯O hydrogen bond is also observed. |
| publisher |
International Union of Crystallography |
| publishDate |
2013 |
| url |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793752/ |
| _version_ |
1612017328633937920 |