1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone
| Autor: | Leandro Bresolin, Inke Jess, Adriano Bof de Oliveira, Katlen Crhistian Tribuzy Bandeira, Christian Näther |
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| Jazyk: | angličtina |
| Rok vydání: | 2013 |
| Předmět: |
Crystallography
T = 293 K Hydrogen bond Maximum deviation R factor = 0.039 Thio General Chemistry Condensed Matter Physics computer.software_genre Organic Papers Turn (biochemistry) chemistry.chemical_compound chemistry QD901-999 Mean (C–C) = 0.005 A° General Materials Science Amine gas treating wR factor = 0.091 Data mining Single-crystal X-ray study Semicarbazone computer Data-to-parameter ratio = 16.2 |
| Zdroj: | Repositório Institucional da FURG (RI FURG) Universidade Federal do Rio Grande (FURG) instacron:FURG Acta Crystallographica Section E: Structure Reports Acta Crystallographica Section E, Vol 69, Iss 8, Pp o1251-o1252 (2013) |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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