Journal of Chemical Crystallography p. 237 - 240 (1995)
Update date:2022-08-05
Topics:
Heinemann, Frank W.
Doelling, Wolfgang
Gildenast, Thomas
Hartung, Helmut
The title compound C13H13NO3S2 crystallizes in the triclinic space group P<*> (Z=2) with lattice constants a=8.382(2), b=10.042(2), c=10.134(2) Angstroem, α=119.35(1) deg, β=101.40(1) deg and γ=90.54(1) deg.The interplanar angle between the least squares planes of the 1,3-oxazoline ring and the phenyl ring amounts to 90.2 deg, thus hindering conjugation between the benzene and heterocyclic system.The observed bond parameters of the five-membered heterocycle suggest a significant contribution from a zwitterionic dipolar limiting structure <38.7(5)percent> to the description of this ring system.The particular contributions of the resonance structures were estimated by calculations using the HOSE model on the base of the observed bond lengths.KEY WORDS: Crystal structure, 1,3-oxazoline-2-thione, resonance structures.
View MoreXiamen Huasing Chemicals Co.Ltd.
Contact:0086-592-6228397
Address:NO.24, Xinglin North 2nd Road,Jimei district
Chengda Pharmaceuticals Co., Ltd.
Contact:+86-573-84601188
Address:hengshan Road 5# in Jiashan, zhejiang
Dalian Synco Chemical Co., Ltd.
Contact:+86-411-83635150
Address:Rm 1004, 24, Tangshan Street, Dalian
Contact:+86-574- 87178138; 87297407
Address:No. 809, Liudingxingzuo, cangsong road, Ningbo, China
Xian Changyue Biological Technology Co., Ltd.
website:https://www.xachangyue.com/
Contact:+86-029-62886900
Address:Keji Road NO.70
Doi:10.1016/j.jfluchem.2016.06.007
(2017)Doi:10.3109/10715762.2014.982112
(2014)Doi:10.1016/j.inoche.2013.09.071
(2014)Doi:10.1002/jhet.5570300236
(1993)Doi:10.1039/c39830000959
(1983)Doi:10.1002/cplu.201402078
(2014)