Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
CN |
Cyano radical |
1.149 |
1 |
2 |
HCN |
Hydrogen cyanide |
1.124 |
1 |
3 |
HCN+ |
hydrogen cyanide cation |
1.180 |
1 |
3 |
HNC |
hydrogen isocyanide |
1.145 |
1 |
2 |
HNC+ |
hydrogen isocyanide cation |
1.124 |
1 |
2 |
CH2NH |
Methanimine |
1.246 |
1 |
2 |
CH2NH+ |
Methanimine cation |
1.236 |
1 |
2 |
CHNH2 |
aminomethylene |
1.301 |
1 |
2 |
CH3NH2 |
methyl amine |
1.452 |
1 |
2 |
CH3NH3 |
methyl ammonium radical |
1.483 |
1 |
2 |
LiCN |
lithium cyanide |
1.139 |
2 |
3 |
CNN |
Diazocarbene |
1.188 |
1 |
2 |
AlCN |
Aluminum monocyanide |
1.135 |
2 |
3 |
AlNC |
Aluminum isocyanide |
1.158 |
2 |
3 |
KCN |
Potassium cyanide |
1.152 |
2 |
3 |
ZnCN |
Zinc monocyanide |
1.135 |
2 |
3 |
ZnNC |
Zinc isocyanide |
1.154 |
2 |
3 |
NCO |
isocyanato radical |
1.210 |
1 |
2 |
FCN |
Cyanogen fluoride |
1.123 |
1 |
3 |
CNF |
iso cyanogen fluoride |
1.142 |
1 |
2 |
ClCN |
chlorocyanogen |
1.126 |
2 |
3 |
BrCN |
Cyanogen bromide |
1.126 |
1 |
2 |
HNCO |
Isocyanic acid |
1.197 |
2 |
3 |
HOCN |
cyanic acid |
1.127 |
1 |
2 |
HCNO |
fulminic acid |
1.123 |
2 |
3 |
HSCN |
thiocyanic acid |
1.128 |
2 |
3 |
HNCS |
Isothiocyanic acid |
1.170 |
1 |
2 |
HNCNH |
diiminomethane |
1.203 |
1 |
2 |
|
|
1.203 |
1 |
3 |
CH2NN |
diazomethane |
1.283 |
1 |
2 |
NH2CN |
cyanamide |
1.129 |
1 |
2 |
|
|
1.339 |
1 |
3 |
CH3CN- |
acetonitrile anion |
1.129 |
2 |
3 |
CH3CN |
Acetonitrile |
1.126 |
2 |
3 |
CHNCH2 |
2H-Azirine |
1.228 |
1 |
2 |
|
|
1.539 |
1 |
3 |
HCNCH2+ |
2H-Azirine cation |
1.173 |
1 |
2 |
|
|
1.490 |
1 |
3 |
CHNHCH |
1H-Azirine |
1.486 |
1 |
2 |
|
|
1.486 |
1 |
3 |
CH3NC |
methyl isocyanide |
1.420 |
1 |
2 |
|
|
1.144 |
2 |
3 |
NH3CN+ |
cyanamide, amine protonated |
1.397 |
1 |
2 |
|
|
1.119 |
1 |
3 |
H2CCNH |
Ethenimine |
1.204 |
2 |
3 |
HCCNH2 |
Ethynamine |
1.350 |
2 |
3 |
NH2CNH+ |
cyanamide, cn protonated |
1.123 |
1 |
2 |
|
|
1.279 |
1 |
3 |
H2CNCH |
methyleneaminomethylene |
1.244 |
1 |
2 |
|
|
1.221 |
2 |
3 |
CHONH2 |
formamide |
1.346 |
1 |
3 |
HOCHNH |
hydroxymethylimine |
1.239 |
1 |
3 |
CHSNH2 |
thioformamide |
1.322 |
1 |
3 |
NHCHSH |
Methanimidothioic acid |
1.244 |
1 |
2 |
NHCHNH2 |
aminomethanimine |
1.362 |
1 |
2 |
|
|
1.252 |
1 |
3 |
NH2CHOH+ |
Formamide, O-protonated |
1.281 |
1 |
3 |
C2H5N |
Aziridine |
1.448 |
1 |
3 |
|
|
1.448 |
1 |
4 |
NH2CH2OH |
aminomethanol |
1.430 |
1 |
2 |
C2H6N+ |
aziridine, protonated |
1.485 |
1 |
2 |
|
|
1.485 |
1 |
3 |
CH3CH2NH2 |
Ethylamine |
1.452 |
1 |
2 |
CH3NHCH3 |
Dimethylamine |
1.445 |
1 |
3 |
|
|
1.445 |
1 |
4 |
C2N2 |
Cyanogen |
1.124 |
1 |
3 |
|
|
1.124 |
2 |
4 |
HCCCN |
Cyanoacetylene |
1.127 |
1 |
2 |
HNCCNH |
Ethenediimine |
1.221 |
1 |
3 |
|
|
1.221 |
2 |
4 |
H2CNCN |
cyanamide, methylene |
1.253 |
1 |
2 |
|
|
1.129 |
3 |
4 |
|
|
1.345 |
2 |
3 |
C3H3N |
acrylonitrile |
1.128 |
1 |
2 |
CH3NO2 |
Methane, nitro- |
1.481 |
1 |
2 |
HOCH2CN |
cyanomethanol |
1.126 |
2 |
7 |
CH3NCO |
methylisocyante |
1.439 |
1 |
2 |
|
|
1.177 |
2 |
3 |
C2H3NO |
Nitrosoethylene |
1.424 |
2 |
3 |
NH2CONH2 |
Urea |
1.368 |
1 |
3 |
|
|
1.368 |
1 |
4 |
NH2CSNH2 |
Thiourea |
1.335 |
1 |
3 |
|
|
1.335 |
1 |
4 |
C2H5CN |
ethyl cyanide |
1.127 |
3 |
4 |
CH3CONH2 |
Acetamide |
1.354 |
2 |
3 |
CH3CHNOH |
Acetaldoxime |
1.245 |
2 |
3 |
CH3C(OH)=NH |
Ethaninidic acid |
1.248 |
1 |
3 |
CH3CSNH2 |
Ethanethioamide |
1.328 |
1 |
4 |
H2NCHCHNH2 |
diaminoethylene |
1.409 |
1 |
3 |
|
|
1.409 |
2 |
4 |
C3H7N |
Cyclopropylamine |
1.433 |
1 |
3 |
CH7N3 |
triaminomethane |
1.446 |
1 |
3 |
|
|
1.446 |
1 |
4 |
|
|
1.446 |
1 |
5 |
C2H8N2 |
Ethylenediamine |
1.450 |
1 |
3 |
|
|
1.450 |
2 |
4 |
CH3CH(NH2)CH3 |
2-Propanamine |
1.457 |
1 |
2 |
N(CH3)3 |
Trimethylamine |
1.443 |
1 |
2 |
|
|
1.443 |
1 |
3 |
|
|
1.443 |
1 |
4 |
NH2CH2CH2CH3 |
1-Propanamine |
1.452 |
3 |
4 |
C3H2N2 |
Malononitrile |
1.124 |
2 |
6 |
|
|
1.124 |
3 |
7 |
C2H2N2O |
Furazan |
1.270 |
2 |
4 |
|
|
1.270 |
3 |
5 |
C3H3NO |
Isoxazole |
1.277 |
2 |
4 |
C3H3NS |
Thiazole |
1.273 |
2 |
4 |
|
|
1.372 |
4 |
5 |
C3H4N2 |
1H-Pyrazole |
1.337 |
2 |
9 |
|
|
1.298 |
6 |
7 |
C3H4N2 |
1H-Imidazole |
2.539 |
2 |
4 |
|
|
2.209 |
4 |
5 |
|
|
3.130 |
1 |
2 |
|
|
2.230 |
1 |
3 |
C3H4N2 |
2H-Imidazole |
1.355 |
1 |
2 |
|
|
1.355 |
1 |
3 |
|
|
1.231 |
2 |
4 |
|
|
1.231 |
3 |
5 |
C4H5N |
Pyrrole |
1.359 |
1 |
3 |
|
|
1.359 |
1 |
4 |
C4H5N |
(E)-2-Butenenitrile |
1.128 |
9 |
10 |
C4H5N |
(Z)-2-Butenenitrile |
1.128 |
1 |
2 |
C4H5N |
Cyclopropanecarbonitrile |
1.128 |
7 |
8 |
H2NCH2COOH |
Glycine |
1.435 |
4 |
5 |
CH2CHCONH2 |
Acrylamide |
1.352 |
2 |
3 |
CH3OCH2CN |
Methoxyacetonitrile |
1.126 |
4 |
5 |
CH5N3S |
Hydrazinecarbothioamide |
1.326 |
4 |
7 |
|
|
1.339 |
2 |
4 |
C3H6N2 |
3-Aminopropionitrile |
1.443 |
3 |
6 |
|
|
1.127 |
10 |
11 |
C2H6N2O |
Urea, methyl- |
1.367 |
7 |
10 |
|
|
1.443 |
1 |
6 |
|
|
1.359 |
6 |
7 |
C3H7NO |
Propanamide |
1.355 |
3 |
5 |
C4H9N |
Pyrrolidine |
1.451 |
1 |
3 |
|
|
1.451 |
1 |
4 |
C4H9N |
Cyclobutylamine |
1.451 |
1 |
10 |
C3H10N2 |
1,2-Diaminopropane |
1.457 |
1 |
14 |
|
|
1.450 |
4 |
7 |
C(NH2)H2C(CH3)HCH3 |
1-Propanamine, 2-methyl- |
1.455 |
1 |
4 |
CH3C(NH2)HCH2CH3 |
2-Butanamine |
1.458 |
1 |
8 |
C4N2 |
2-Butynedinitrile |
1.127 |
3 |
5 |
|
|
1.127 |
4 |
6 |
CF3CN |
Acetonitrile, trifluoro- |
1.122 |
2 |
3 |
C3H3N3 |
1,3,5-Triazine |
1.314 |
1 |
5 |
|
|
1.314 |
1 |
6 |
|
|
1.314 |
2 |
4 |
|
|
1.314 |
2 |
5 |
|
|
1.314 |
3 |
4 |
|
|
1.314 |
3 |
6 |
CH3N5 |
5-Aminotetrazole |
1.328 |
1 |
3 |
|
|
1.290 |
1 |
6 |
|
|
1.364 |
1 |
9 |
C2H3NO3 |
Oxamic acid |
1.337 |
2 |
6 |
C4H4N2 |
Succinonitrile |
1.126 |
3 |
6 |
|
|
1.126 |
4 |
5 |
C4H4N2 |
Pyridazine |
1.306 |
3 |
10 |
|
|
1.306 |
4 |
9 |
C4H4N2 |
1,3-Diazine |
1.315 |
2 |
5 |
|
|
1.315 |
2 |
6 |
|
|
1.317 |
3 |
5 |
|
|
1.317 |
4 |
6 |
C4H4N2 |
Pyrazine |
1.314 |
1 |
3 |
|
|
1.314 |
1 |
4 |
|
|
1.314 |
2 |
5 |
|
|
1.314 |
2 |
6 |
C2H4N4 |
1H-Tetrazole, 5-methyl- |
1.330 |
2 |
7 |
|
|
1.289 |
1 |
2 |
C2H4N4 |
1H-Tetrazole, 1-methyl- |
1.324 |
1 |
2 |
|
|
1.289 |
1 |
5 |
|
|
1.444 |
2 |
7 |
C2H4N4 |
2H-Tetrazole, 2-methyl- |
1.299 |
2 |
3 |
|
|
1.334 |
2 |
4 |
|
|
1.445 |
6 |
10 |
C2H4N2O2 |
Oxalamide |
1.331 |
1 |
5 |
|
|
1.331 |
2 |
6 |
C5H5N |
Pyridine |
1.317 |
1 |
3 |
|
|
1.317 |
1 |
4 |
C5H5N |
Bicyclo[1.1.0]butane-1-carbonitrile |
1.128 |
10 |
11 |
C4H5NO |
Isoxazole, 5-methyl- |
1.276 |
7 |
8 |
C4H5NO |
3-Methylisoxazole |
1.278 |
7 |
8 |
C4H5NS |
4-Methylthiazole |
1.378 |
2 |
9 |
|
|
1.272 |
3 |
9 |
C4H6N2 |
1H-Imidazole, 2-methyl- |
1.288 |
7 |
8 |
|
|
1.372 |
8 |
9 |
|
|
1.350 |
5 |
7 |
|
|
1.373 |
5 |
11 |
C2H6N2O2 |
Dimethylnitroamine |
1.453 |
6 |
12 |
|
|
1.453 |
10 |
12 |
C2H6N2O2 |
(E)-Azodioxymethane |
1.463 |
1 |
5 |
|
|
1.463 |
2 |
6 |
CH6N4S |
Carbonothioic dihydrazide |
1.332 |
1 |
3 |
|
|
1.348 |
1 |
5 |
C5H7N |
1H-Pyrrole, 1-methyl- |
1.441 |
1 |
13 |
|
|
1.358 |
9 |
13 |
|
|
1.358 |
11 |
13 |
C5H7N |
Cyclobutanecarbonitrile |
1.128 |
1 |
2 |
C5H7N |
(E)-3-Pentenenitrile |
1.127 |
10 |
11 |
C5H7N |
(Z)-2-Pentenenitrile |
1.128 |
1 |
2 |
C5H7N |
(E)-2-Pentenenitrile |
1.128 |
1 |
2 |
HCONH2CN2H4 |
formamide aminomethanimine dimer |
1.339 |
6 |
7 |
|
|
1.331 |
2 |
4 |
|
|
1.264 |
3 |
6 |
NH2COOC2H5 |
Urethane |
1.362 |
9 |
12 |
CH3CH(NH2)COOH |
Alanine |
1.457 |
1 |
3 |
C4H7NO |
Methacrylamide |
1.082 |
4 |
6 |
NH2CH2CH2COOH |
β–alanine |
1.460 |
1 |
2 |
CH3NHCH2COOH |
Sarcosine |
1.451 |
1 |
2 |
|
|
1.447 |
1 |
3 |
C4H7NO |
2-Pyrrolidinone |
1.353 |
1 |
2 |
|
|
1.446 |
1 |
5 |
C4H7NO |
Oxazole, 4,5-dihydro-2-methyl- |
1.455 |
3 |
4 |
|
|
1.247 |
4 |
6 |
N(CH3)2CONH2 |
Urea, N,N-dimethyl- |
1.362 |
3 |
4 |
|
|
1.371 |
3 |
6 |
|
|
1.449 |
4 |
10 |
|
|
1.447 |
4 |
14 |
NH2CONHC2H5 |
Urea, ethyl- |
1.447 |
5 |
8 |
|
|
1.359 |
8 |
13 |
|
|
1.367 |
10 |
13 |
C5H9N |
Pentanenitrile |
1.127 |
5 |
6 |
C5H9N |
Propanenitrile, 2,2-dimethyl- |
1.127 |
2 |
6 |
C5H9N |
1,2,3,6-Tetrahydropyridine |
1.451 |
10 |
15 |
|
|
1.451 |
13 |
15 |
C5H9N |
Butanenitrile, 2-methyl- |
1.127 |
1 |
2 |
C4H9NO |
Butanamide |
1.355 |
11 |
14 |
C4H9NO |
Propanamide, 2-methyl- |
1.352 |
10 |
13 |
C5H11N |
Piperidine |
1.451 |
6 |
8 |
|
|
1.451 |
7 |
8 |
C5H11N |
Cyclopentanamine |
1.451 |
1 |
2 |
C4H11NO |
Diethylhydroxylamine |
1.448 |
1 |
6 |
|
|
1.448 |
1 |
7 |
C4H12N2 |
2-Methyl-1,2-propanediamine |
1.462 |
1 |
7 |
|
|
1.449 |
4 |
10 |
C4H12N2 |
1,2-Butanediamine |
1.450 |
1 |
14 |
|
|
1.460 |
8 |
17 |
CH(CN)3 |
tricyanomethane |
1.123 |
3 |
6 |
|
|
1.123 |
4 |
7 |
|
|
1.123 |
5 |
8 |
HN=C=C(CN)2 |
Dicyanoketenimine |
1.177 |
2 |
3 |
|
|
1.127 |
4 |
6 |
|
|
1.127 |
5 |
7 |
C5H5NO |
3-Pyridinol |
1.316 |
1 |
2 |
|
|
1.313 |
1 |
6 |
C5H5NO |
2-Pyridinol |
1.303 |
1 |
2 |
|
|
1.326 |
1 |
6 |
C5H5NO |
4-Pyridinol |
1.315 |
1 |
2 |
|
|
1.321 |
1 |
6 |
C5H5NO |
3(2H)-Pyridinone |
1.442 |
1 |
2 |
|
|
1.248 |
1 |
6 |
C5H5NO |
3(6H)-Pyridinone |
1.247 |
1 |
2 |
|
|
1.439 |
1 |
6 |
C5H5NO |
3(4H)-Pyridinone |
1.251 |
1 |
2 |
|
|
1.412 |
1 |
6 |
C5H5NO |
2(5H)-Pyridinone |
1.415 |
1 |
2 |
|
|
1.253 |
1 |
6 |
C5H5NO |
2(3H)-Pyridinone |
1.407 |
1 |
2 |
|
|
1.261 |
1 |
6 |
C5H5NO |
4(3H)-Pryidinone |
1.254 |
1 |
2 |
|
|
1.404 |
1 |
6 |
C5H5NO |
4(1H)-Pryidinone |
1.360 |
1 |
2 |
|
|
1.360 |
1 |
6 |
C5H5NO |
2(1H)-Pyridinone |
1.378 |
1 |
2 |
|
|
1.358 |
1 |
6 |
C6H5NH2 |
aniline |
1.393 |
1 |
7 |
C6H5NO |
nitrosobenzene |
1.434 |
1 |
7 |
C6H5NO2 |
Nitrobenzene |
1.464 |
1 |
7 |