Back to Search
Start Over
Crystal structures of 2-(benzenecarbothioyloxy)ethyl benzenecarbothioate and 2-(benzenecarbothioyloxy)ethyl benzoate
- Source :
- Acta Crystallographica Section E: Crystallographic Communications, Vol 73, Iss 10, Pp 1430-1433 (2017), Acta Crystallographica Section E: Crystallographic Communications
- Publication Year :
- 2017
- Publisher :
- International Union of Crystallography (IUCr), 2017.
-
Abstract
- The title compounds are monomeric models for a polythio­noester and a poly(ester-co-thio­noester). The mol­ecules adopt all-trans structures with inter­molecular C⋯S close contacts and C—H⋯π inter­actions. Both crystals have almost the same mol­ecular packing in space group P21/c.<br />The title compounds, C16H14O2S2 and C16H14O3S, which are monomeric models (models D and E) for a polythio­noester and a poly(ester-co-thio­noester), respectively, crystallize in the space group P21/c and are isostructural with each other. The mol­ecule in each crystal is located on an inversion centre and has an all-trans structure. The asymmetric unit comprises one half-mol­ecule. In the crystal, there are inter­molecular C⋯S contacts [3.391 (3) and 3.308 (3) Å for models D and E, respectively] and C—H⋯π inter­actions, which form a layer structure parallel to the bc plane. The carbonyl and thio­carbonyl groups of the model E compound are each disordered over two equivalent sites about the inversion centre with equal occupancies.
- Subjects :
- crystal structure
Crystal structure
010402 general chemistry
010403 inorganic & nuclear chemistry
01 natural sciences
Inversion (discrete mathematics)
C—H...π interaction
Ethyl benzoate
Research Communications
lcsh:Chemistry
Crystal
chemistry.chemical_compound
Group (periodic table)
General Materials Science
Isostructural
all-trans structure
Chemistry
thionoester
General Chemistry
Condensed Matter Physics
0104 chemical sciences
C...S close contact
C⋯S close contact
Crystallography
thionoester
Monomer
lcsh:QD1-999
C—H⋯π interaction
Subjects
Details
- ISSN :
- 20569890
- Volume :
- 73
- Database :
- OpenAIRE
- Journal :
- Acta Crystallographica Section E Crystallographic Communications
- Accession number :
- edsair.doi.dedup.....c63948ca5855c90714b43d72507f9189
- Full Text :
- https://doi.org/10.1107/s2056989017012701