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 > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
Species | Name |
---|---|
C3H2N2 | Malononitrile |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.459 | 1990Ran/Cox:1981 | average structure | 1 | 2 | ||
rCN | 1.160 | 1990Ran/Cox:1981 | 2 | 6 | |||
rCH | 1.109 | 1990Ran/Cox:1981 | 1 | 4 | |||
aCCN | 178.6 | 1 | 2 | 6 | |||
aCCC | 112.5 | 1990Ran/Cox:1981 | 2 | 1 | 3 | ||
aHCH | 106.9 | 1990Ran/Cox:1981 | 4 | 1 | 5 | ||
aHCC | 109.3 | 1990Ran/Cox:1981 | by symmetry | 2 | 1 | 4 |
squib | reference |
---|---|
1990Ran/Cox:1981 | J Randell, AP Cox, I Merke, H Dreizler, "Dicyanomethane: Microwave spectrum, Quadrupole Coupling and Sturcture" J. Chem. Soc. Farad. Trans. 1990, 86(11), 1981-1989 |