Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
CN- |
cyanide anion |
1.180 |
1 |
2 |
HCN |
Hydrogen cyanide |
1.157 |
1 |
3 |
HCN+ |
hydrogen cyanide cation |
1.218 |
1 |
3 |
HNC+ |
hydrogen isocyanide cation |
1.140 |
1 |
2 |
CH2NH |
Methanimine |
1.274 |
1 |
2 |
CH2NH+ |
Methanimine cation |
1.234 |
1 |
2 |
CHNH2 |
aminomethylene |
1.313 |
1 |
2 |
CH2NH2+ |
methyleneamine cation |
1.277 |
1 |
2 |
CH3NH2 |
methyl amine |
1.463 |
1 |
2 |
CH3NH2+ |
methyl amine cation |
1.423 |
1 |
2 |
LiCN |
lithium cyanide |
1.182 |
2 |
3 |
CNN |
Diazocarbene |
1.234 |
1 |
2 |
NaCN |
Sodium Cyanide |
1.182 |
1 |
2 |
AlCN |
Aluminum monocyanide |
1.168 |
2 |
3 |
AlNC |
Aluminum isocyanide |
1.184 |
2 |
3 |
NCO |
isocyanato radical |
1.229 |
1 |
2 |
CNF |
iso cyanogen fluoride |
1.181 |
1 |
2 |
BrCN |
Cyanogen bromide |
1.163 |
1 |
2 |
HCCN |
cyanomethylene |
1.195 |
2 |
3 |
HCNO |
fulminic acid |
1.169 |
2 |
3 |
HSCN |
thiocyanic acid |
1.164 |
2 |
3 |
HNCS |
Isothiocyanic acid |
1.205 |
1 |
2 |
HNCNH |
diiminomethane |
1.226 |
1 |
2 |
|
|
1.226 |
1 |
3 |
NH2CN |
cyanamide |
1.164 |
1 |
2 |
|
|
1.330 |
1 |
3 |
CH3CN- |
acetonitrile anion |
1.219 |
2 |
3 |
CH3CN |
Acetonitrile |
1.159 |
2 |
3 |
HCNCH2+ |
2H-Azirine cation |
1.213 |
1 |
2 |
|
|
1.469 |
1 |
3 |
CHNHCH |
1H-Azirine |
1.520 |
1 |
2 |
|
|
1.520 |
1 |
3 |
NCNH3+ |
Cyanamide, protonated |
1.158 |
1 |
2 |
|
|
1.410 |
1 |
3 |
HNCNH2+ |
diiminomethane, protonated |
1.153 |
1 |
2 |
|
|
1.287 |
1 |
3 |
NH3CN+ |
cyanamide, amine protonated |
1.409 |
1 |
2 |
|
|
1.158 |
1 |
3 |
HCCNH2 |
Ethynamine |
1.360 |
2 |
3 |
NH2CNH+ |
cyanamide, cn protonated |
1.150 |
1 |
2 |
|
|
1.288 |
1 |
3 |
CH2NOH |
formaldoxime |
1.274 |
1 |
2 |
CH3NO |
nitrosomethane |
1.480 |
1 |
2 |
CNOH3 |
1,2-oxaziridine |
1.435 |
1 |
2 |
HOCHNH |
hydroxymethylimine |
1.261 |
1 |
3 |
CHSNH2 |
thioformamide |
1.341 |
1 |
3 |
NHCHSH |
Methanimidothioic acid |
1.271 |
1 |
2 |
CH2CHNH |
vinylazine |
1.312 |
1 |
3 |
NH2CHOH+ |
Formamide, O-protonated |
1.295 |
1 |
3 |
C2H5NH+ |
Protonated Aziridine |
1.012 |
1 |
2 |
|
|
1.012 |
1 |
3 |
(CH3)2NH2+ |
dimethylammonium cation |
1.497 |
1 |
2 |
|
|
1.497 |
1 |
3 |
CH3CH2NH3+ |
ethylamine, protonated |
1.515 |
1 |
2 |
C2N2 |
Cyanogen |
1.162 |
1 |
3 |
|
|
1.162 |
2 |
4 |
HNCCNH |
Ethenediimine |
1.250 |
1 |
3 |
|
|
1.250 |
2 |
4 |
H2CNCN |
cyanamide, methylene |
1.164 |
3 |
4 |
|
|
1.280 |
1 |
2 |
|
|
1.352 |
2 |
3 |
CH3N3 |
methyl azide |
1.469 |
1 |
2 |
CH3NO2 |
Methane, nitro- |
1.487 |
1 |
2 |
HOCH2CN |
cyanomethanol |
1.159 |
2 |
7 |
NH2COOH |
Carbamic acid |
1.359 |
1 |
3 |
CH3NCO |
methylisocyante |
1.441 |
1 |
2 |
|
|
1.204 |
2 |
3 |
NH2CH2CN |
Aminoacetonitrile |
1.160 |
3 |
4 |
|
|
1.455 |
1 |
2 |
NH2CCNH2 |
Diaminoacetylene |
1.361 |
1 |
3 |
|
|
1.361 |
2 |
4 |
NH2CONH2 |
Urea |
1.369 |
1 |
3 |
|
|
1.369 |
1 |
4 |
NH3COOH+ |
protonated Carbamic acid |
1.524 |
1 |
3 |
NH2COOH2+ |
Carbamic acid, O-protonated |
1.305 |
1 |
3 |
C2H5CN |
ethyl cyanide |
1.160 |
3 |
4 |
CH3CHNOH |
Acetaldoxime |
1.277 |
2 |
3 |
HCONHCH3 |
N-methylformamide |
1.355 |
1 |
3 |
|
|
1.443 |
3 |
4 |
CH5N2O+ |
urea, N-protonated |
1.563 |
1 |
3 |
|
|
1.330 |
1 |
4 |
CH3C(OH)=NH |
Ethaninidic acid |
1.269 |
1 |
3 |
H2NCOHNH2+ |
urea, protonated |
1.320 |
1 |
3 |
|
|
1.313 |
1 |
4 |
H2NCHCHNH2 |
diaminoethylene |
1.415 |
1 |
3 |
|
|
1.415 |
2 |
4 |
CH7N3 |
triaminomethane |
1.454 |
1 |
3 |
|
|
1.454 |
1 |
4 |
|
|
1.454 |
1 |
5 |
CH2N4 |
1H-Tetrazole |
1.342 |
1 |
2 |
|
|
1.311 |
1 |
5 |
C2H2N2O |
Furazan |
1.304 |
2 |
4 |
|
|
1.304 |
3 |
5 |
C3H3NS |
Thiazole |
1.302 |
2 |
4 |
|
|
1.375 |
4 |
5 |
C3H4N2 |
1H-Imidazole |
1.313 |
2 |
4 |
|
|
1.378 |
4 |
5 |
|
|
1.361 |
1 |
2 |
|
|
1.376 |
1 |
3 |
C3H4N2 |
4H-Imidazole |
1.283 |
2 |
3 |
|
|
1.457 |
3 |
4 |
|
|
1.430 |
1 |
2 |
|
|
1.288 |
1 |
5 |
C3H4N2 |
2H-Imidazole |
1.357 |
1 |
2 |
|
|
1.357 |
1 |
3 |
|
|
1.256 |
2 |
4 |
|
|
1.256 |
3 |
5 |
C4H6N+ |
pyrrole, protonated |
1.477 |
1 |
2 |
|
|
1.477 |
1 |
3 |
C4H2N2 |
Fumaronitrile |
1.162 |
3 |
5 |
|
|
1.162 |
4 |
6 |
C2H4N2S2 |
Ethanedithioamide |
1.325 |
1 |
5 |
|
|
1.325 |
2 |
6 |
C5H6N+ |
Pyridinium |
1.346 |
1 |
2 |
|
|
1.346 |
1 |
3 |
CH(CN)3 |
tricyanomethane |
1.158 |
3 |
6 |
|
|
1.158 |
4 |
7 |
|
|
1.158 |
5 |
8 |
HN=C=C(CN)2 |
Dicyanoketenimine |
1.206 |
2 |
3 |
|
|
1.161 |
4 |
6 |
|
|
1.161 |
5 |
7 |