Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
CN |
Cyano radical |
1.217 |
1 |
2 |
HCN |
Hydrogen cyanide |
1.196 |
1 |
3 |
HCN+ |
hydrogen cyanide cation |
1.306 |
1 |
3 |
HNC+ |
hydrogen isocyanide cation |
1.194 |
1 |
2 |
CH2NH |
Methanimine |
1.313 |
1 |
2 |
CH2NH+ |
Methanimine cation |
1.294 |
1 |
2 |
CHNH2 |
aminomethylene |
1.357 |
1 |
2 |
CH2NH2+ |
methyleneamine cation |
1.320 |
1 |
2 |
CH3NH2 |
methyl amine |
1.522 |
1 |
2 |
LiCN |
lithium cyanide |
1.210 |
2 |
3 |
CNN |
Diazocarbene |
1.262 |
1 |
2 |
AlCN |
Aluminum monocyanide |
1.201 |
2 |
3 |
AlNC |
Aluminum isocyanide |
1.216 |
2 |
3 |
KCN |
Potassium cyanide |
1.219 |
2 |
3 |
ZnCN |
Zinc monocyanide |
1.247 |
2 |
3 |
ZnNC |
Zinc isocyanide |
1.270 |
2 |
3 |
NCO |
isocyanato radical |
1.270 |
1 |
2 |
CNF |
iso cyanogen fluoride |
1.230 |
1 |
2 |
BrCN |
Cyanogen bromide |
1.205 |
1 |
2 |
ICN |
Cyanogen iodide |
1.204 |
2 |
3 |
HCNO |
fulminic acid |
1.205 |
2 |
3 |
HSCN |
thiocyanic acid |
1.204 |
2 |
3 |
HNCS |
Isothiocyanic acid |
1.266 |
1 |
2 |
HNCNH |
diiminomethane |
1.279 |
1 |
2 |
|
|
1.279 |
1 |
3 |
CH3CN- |
acetonitrile anion |
1.256 |
2 |
3 |
CH3CN |
Acetonitrile |
1.198 |
2 |
3 |
CHNCH2 |
2H-Azirine |
1.319 |
1 |
2 |
|
|
1.591 |
1 |
3 |
HCNCH2+ |
2H-Azirine cation |
1.288 |
1 |
2 |
|
|
1.569 |
1 |
3 |
CHNHCH |
1H-Azirine |
1.572 |
1 |
2 |
|
|
1.572 |
1 |
3 |
HNCNH2+ |
diiminomethane, protonated |
1.230 |
1 |
2 |
|
|
1.322 |
1 |
3 |
NH3CN+ |
cyanamide, amine protonated |
1.474 |
1 |
2 |
|
|
1.209 |
1 |
3 |
H2CCNH |
Ethenimine |
1.276 |
2 |
3 |
HCCNH2 |
Ethynamine |
1.420 |
2 |
3 |
NH2CNH+ |
cyanamide, cn protonated |
1.193 |
1 |
2 |
|
|
1.329 |
1 |
3 |
H2CNCH |
methyleneaminomethylene |
1.312 |
1 |
2 |
|
|
1.269 |
2 |
3 |
HOCHNH |
hydroxymethylimine |
1.320 |
1 |
3 |
CHSNH2 |
thioformamide |
1.407 |
1 |
3 |
NHCHSH |
Methanimidothioic acid |
1.321 |
1 |
2 |
NH2CHOH+ |
Formamide, O-protonated |
1.351 |
1 |
3 |
NH2CH2OH |
aminomethanol |
1.524 |
1 |
2 |
C2H6N+ |
aziridine, protonated |
1.541 |
1 |
2 |
|
|
1.541 |
1 |
3 |
(CH3)2NH2+ |
dimethylammonium cation |
1.552 |
1 |
2 |
|
|
1.552 |
1 |
3 |
CH3CH2NH3+ |
ethylamine, protonated |
1.570 |
1 |
2 |
C2N2 |
Cyanogen |
1.211 |
1 |
3 |
|
|
1.211 |
2 |
4 |
HNCCNH |
Ethenediimine |
1.299 |
1 |
3 |
|
|
1.299 |
2 |
4 |
H2CNCN |
cyanamide, methylene |
1.327 |
1 |
2 |
|
|
1.209 |
3 |
4 |
|
|
1.427 |
2 |
3 |
CH3N3 |
methyl azide |
1.545 |
1 |
2 |
CH3NO2 |
Methane, nitro- |
1.592 |
1 |
2 |
HOCH2CN |
cyanomethanol |
1.200 |
2 |
7 |
CH3NCO |
methylisocyante |
1.508 |
1 |
2 |
|
|
1.274 |
2 |
3 |
C2H3NO |
Nitrosoethylene |
1.545 |
2 |
3 |
NH2CH2CN |
Aminoacetonitrile |
1.200 |
3 |
4 |
|
|
1.524 |
1 |
2 |
NH2CCNH2 |
Diaminoacetylene |
1.388 |
1 |
3 |
|
|
1.388 |
2 |
4 |
CH3NHN2+ |
methyl azide, protonated |
1.528 |
1 |
2 |
C2H5CN |
ethyl cyanide |
1.199 |
3 |
4 |
CH3C(OH)=NH |
Ethaninidic acid |
1.324 |
1 |
3 |
CH3CSNH2 |
Ethanethioamide |
1.437 |
1 |
4 |
H2NCHCHNH2 |
diaminoethylene |
1.466 |
1 |
3 |
|
|
1.466 |
2 |
4 |
CH7N3 |
triaminomethane |
1.526 |
1 |
3 |
|
|
1.526 |
1 |
4 |
|
|
1.526 |
1 |
5 |
NH2CH2CH2CH3 |
1-Propanamine |
1.523 |
3 |
4 |
C3H7NH3+ |
n-propylamine, protonated |
1.571 |
3 |
4 |
(CH3)3NH+ |
protonated trimethyl amine |
1.066 |
1 |
2 |
|
|
1.552 |
1 |
3 |
|
|
1.552 |
1 |
4 |
C2H2N2O |
Furazan |
1.372 |
2 |
4 |
|
|
1.372 |
3 |
5 |
C3H3NO |
Isoxazole |
1.374 |
2 |
4 |
C3H3NS |
Thiazole |
1.347 |
2 |
4 |
|
|
1.441 |
4 |
5 |
C3H4N2 |
4H-Imidazole |
1.330 |
2 |
3 |
|
|
1.534 |
3 |
4 |
|
|
1.333 |
1 |
5 |
|
|
1.503 |
1 |
2 |
C3H4N2 |
2H-Imidazole |
1.393 |
1 |
2 |
|
|
1.393 |
1 |
3 |
|
|
1.286 |
2 |
4 |
|
|
1.286 |
3 |
5 |
C4H5N |
Pyrrole |
1.407 |
1 |
3 |
|
|
1.407 |
1 |
4 |
CH3OCH2CN |
Methoxyacetonitrile |
1.200 |
4 |
5 |
C4H6N+ |
pyrrole, protonated |
1.533 |
1 |
2 |
|
|
1.533 |
1 |
3 |
C4H6N+ |
pyrrole, beta-protonated |
1.341 |
1 |
2 |
|
|
1.470 |
1 |
3 |
C4H6N+ |
pyrrole, alpha-protonated |
1.505 |
1 |
2 |
|
|
1.349 |
1 |
3 |
NH(C2H5)2 |
diethylamine |
1.524 |
1 |
2 |
|
|
1.524 |
1 |
3 |
C2H4N2S2 |
Ethanedithioamide |
1.361 |
1 |
5 |
|
|
1.361 |
2 |
6 |
NH(CH3)CONH(CH3) |
Urea, N,N'-dimethyl- |
1.476 |
1 |
3 |
|
|
1.476 |
1 |
4 |
|
|
1.505 |
3 |
5 |
|
|
1.505 |
4 |
6 |
CH(CN)3 |
tricyanomethane |
1.201 |
3 |
6 |
|
|
1.201 |
4 |
7 |
|
|
1.201 |
5 |
8 |
HN=C=C(CN)2 |
Dicyanoketenimine |
1.260 |
2 |
3 |
|
|
1.205 |
4 |
6 |
|
|
1.205 |
5 |
7 |
C6H5NO |
nitrosobenzene |
1.560 |
1 |
7 |