Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
|
|
You are here: Home > Geometry > Experimental > Bond angles OR Experimental > Geometry > Bond angles |
Bond type | Species | Name | Angle | Comment |
---|---|---|---|---|
aCCS | C2H4S | Thiirane | 65.87 | by symmetry |
aCCS | C3H6S | Thietane | 90.60 | |
aCCS | C4H6S | Thiophene, 2,5-dihydro- | 105.00 | adjusted from listed value of 106.25 to get C=C bond distance to agree with listed value of 1.34 |
aCCS | C4H8S | Thiophene, tetrahydro- | 106.10 | |
aCCS | CH3CH2SH | ethanethiol | 108.60 | |
aCCS | C3H7SH | 1-Propanethiol | 108.60 | |
aCCS | CH3SCH2CH3 | Ethane, (methylthio)- | 109.50 | |
aCCS | CH3CHSHCH3 | 2-Propanethiol | 111.20 | |
aCCS | CH2SHCH2SH | 1,2-Ethanedithiol | 112.00 | |
aCCS | C5H10S | 2H-Thiopyran, tetrahydro- | 112.70 | |
aCCS | CH3CH2SH | ethanethiol | 113.62 | |
Average | 103.98 | ±14.13 | ||
Min | 65.87 | |||
Max | 113.62 |