Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
CN |
Cyano radical |
1.183 |
1 |
2 |
HCN |
Hydrogen cyanide |
1.164 |
1 |
3 |
HNC+ |
hydrogen isocyanide cation |
1.144 |
1 |
2 |
CH2NH+ |
Methanimine cation |
1.236 |
1 |
2 |
CHNH2 |
aminomethylene |
1.318 |
1 |
2 |
CH3NH2 |
methyl amine |
1.464 |
1 |
2 |
CH3NH2+ |
methyl amine cation |
1.424 |
1 |
2 |
CNN |
Diazocarbene |
1.236 |
1 |
2 |
AlCN |
Aluminum monocyanide |
1.176 |
2 |
3 |
AlNC |
Aluminum isocyanide |
1.193 |
2 |
3 |
KCN |
Potassium cyanide |
1.188 |
2 |
3 |
BrCN |
Cyanogen bromide |
1.171 |
1 |
2 |
HCNO |
fulminic acid |
1.177 |
2 |
3 |
HNCNH |
diiminomethane |
1.231 |
1 |
2 |
|
|
1.231 |
1 |
3 |
CH2N2 |
diazirine |
1.478 |
1 |
2 |
|
|
1.478 |
1 |
3 |
CH2NN |
diazomethane |
1.298 |
1 |
2 |
NH2CN |
cyanamide |
1.172 |
1 |
2 |
|
|
1.351 |
1 |
3 |
CH3CN- |
acetonitrile anion |
1.235 |
2 |
3 |
CH3CN |
Acetonitrile |
1.167 |
2 |
3 |
CH3NO |
nitrosomethane |
1.485 |
1 |
2 |
CHSNH2 |
thioformamide |
1.345 |
1 |
3 |
NHCHSH |
Methanimidothioic acid |
1.274 |
1 |
2 |
HNCCNH |
Ethenediimine |
1.253 |
1 |
3 |
|
|
1.253 |
2 |
4 |
H2CNCN |
cyanamide, methylene |
1.282 |
1 |
2 |
|
|
1.173 |
3 |
4 |
|
|
1.350 |
2 |
3 |
CH3NO2 |
Methane, nitro- |
1.493 |
1 |
2 |
HOCH2CN |
cyanomethanol |
1.167 |
2 |
7 |
CH3NCO |
methylisocyante |
1.442 |
1 |
2 |
|
|
1.210 |
2 |
3 |
C2H3NO |
Nitrosoethylene |
1.427 |
2 |
3 |
C2H5CN |
ethyl cyanide |
1.168 |
3 |
4 |
HCONHCH3 |
N-methylformamide |
1.357 |
1 |
3 |
|
|
1.454 |
3 |
4 |
C2H2N2O |
Furazan |
1.312 |
2 |
4 |
|
|
1.312 |
3 |
5 |
C3H3NO |
Isoxazole |
1.316 |
2 |
4 |
C3H3NS |
Thiazole |
1.305 |
2 |
4 |
|
|
1.376 |
4 |
5 |
C3H4N2 |
1H-Imidazole |
1.317 |
2 |
4 |
|
|
1.379 |
4 |
5 |
|
|
1.366 |
1 |
2 |
|
|
1.379 |
1 |
3 |
C4H5N |
Pyrrole |
1.375 |
1 |
3 |
|
|
1.375 |
1 |
4 |
C4H5N |
(E)-2-Butenenitrile |
1.167 |
9 |
10 |
C4H5N |
(Z)-2-Butenenitrile |
1.167 |
1 |
2 |
C4H5N |
Cyclopropanecarbonitrile |
1.166 |
7 |
8 |
CH2CHCONH2 |
Acrylamide |
1.371 |
2 |
3 |
CH5N3S |
Hydrazinecarbothioamide |
1.387 |
4 |
7 |
|
|
1.392 |
2 |
4 |
C2H6N2O |
Urea, methyl- |
1.389 |
7 |
10 |
|
|
1.453 |
1 |
6 |
|
|
1.380 |
6 |
7 |
C4H9N |
Pyrrolidine |
1.462 |
1 |
3 |
|
|
1.462 |
1 |
4 |
C4H9N |
Cyclobutylamine |
1.460 |
1 |
10 |
C3H10N2 |
1,2-Diaminopropane |
1.466 |
1 |
14 |
|
|
1.460 |
4 |
7 |
C(NH2)H2C(CH3)HCH3 |
1-Propanamine, 2-methyl- |
1.467 |
1 |
4 |
NH(C2H5)2 |
diethylamine |
1.459 |
1 |
2 |
|
|
1.459 |
1 |
3 |
CH3C(NH2)HCH2CH3 |
2-Butanamine |
1.467 |
1 |
8 |
CH3N5 |
5-Aminotetrazole |
1.353 |
1 |
3 |
|
|
1.320 |
1 |
6 |
|
|
1.379 |
1 |
9 |
C2H3NO3 |
Oxamic acid |
1.356 |
2 |
6 |
C4H4N2 |
1,3-Diazine |
1.339 |
2 |
5 |
|
|
1.339 |
2 |
6 |
|
|
1.334 |
3 |
5 |
|
|
1.334 |
4 |
6 |
C2H4N4 |
1H-Tetrazole, 5-methyl- |
1.355 |
2 |
7 |
|
|
1.319 |
1 |
2 |
C2H4N4 |
2H-Tetrazole, 2-methyl- |
1.329 |
2 |
3 |
|
|
1.358 |
2 |
4 |
|
|
1.452 |
6 |
10 |
C5H5N |
Bicyclo[1.1.0]butane-1-carbonitrile |
1.167 |
10 |
11 |
C4H5NO |
Isoxazole, 5-methyl- |
1.311 |
7 |
8 |
C4H5NO |
3-Methylisoxazole |
1.313 |
7 |
8 |
C4H5NS |
4-Methylthiazole |
1.388 |
2 |
9 |
|
|
1.299 |
3 |
9 |
C4H6N2 |
1H-Imidazole, 2-methyl- |
1.316 |
7 |
8 |
|
|
1.383 |
8 |
9 |
|
|
1.371 |
5 |
7 |
|
|
1.384 |
5 |
11 |
C2H6N2O2 |
Dimethylnitroamine |
1.459 |
6 |
12 |
|
|
1.459 |
10 |
12 |
C5H7N |
1H-Pyrrole, 1-methyl- |
1.449 |
1 |
13 |
|
|
1.376 |
9 |
13 |
|
|
1.376 |
11 |
13 |
C5H7N |
Cyclobutanecarbonitrile |
1.168 |
1 |
2 |
C5H7N |
(E)-3-Pentenenitrile |
1.165 |
10 |
11 |
C5H7N |
(Z)-2-Pentenenitrile |
1.167 |
1 |
2 |
C5H7N |
(E)-2-Pentenenitrile |
1.167 |
1 |
2 |
CH3CH(NH2)COOH |
Alanine |
1.470 |
1 |
3 |
C4H7NO |
Methacrylamide |
1.092 |
4 |
6 |
NH2CH2CH2COOH |
β–alanine |
1.472 |
1 |
2 |
CH3NHCH2COOH |
Sarcosine |
1.462 |
1 |
2 |
|
|
1.460 |
1 |
3 |
C4H7NO |
2-Pyrrolidinone |
1.373 |
1 |
2 |
|
|
1.455 |
1 |
5 |
C4H7NO |
Oxazole, 4,5-dihydro-2-methyl- |
1.467 |
3 |
4 |
|
|
1.274 |
4 |
6 |
N(CH3)2CONH2 |
Urea, N,N-dimethyl- |
1.382 |
3 |
4 |
|
|
1.393 |
3 |
6 |
|
|
1.455 |
4 |
10 |
|
|
1.456 |
4 |
14 |
NH2CONHC2H5 |
Urea, ethyl- |
1.458 |
5 |
8 |
|
|
1.381 |
8 |
13 |
|
|
1.388 |
10 |
13 |
C5H9N |
Pentanenitrile |
1.165 |
5 |
6 |
C5H9N |
1,2,3,6-Tetrahydropyridine |
1.462 |
10 |
15 |
|
|
1.463 |
13 |
15 |
C5H9N |
Butanenitrile, 2-methyl- |
1.165 |
1 |
2 |
C4H9NO |
Butanamide |
1.369 |
11 |
14 |
C4H9NO |
Propanamide, 2-methyl- |
1.368 |
10 |
13 |
C5H11N |
Piperidine |
1.461 |
6 |
8 |
|
|
1.461 |
7 |
8 |
C5H11N |
Cyclopentanamine |
1.461 |
1 |
2 |
C4H11NO |
Diethylhydroxylamine |
1.458 |
1 |
6 |
|
|
1.458 |
1 |
7 |
C4H12N2 |
2-Methyl-1,2-propanediamine |
1.471 |
1 |
7 |
|
|
1.459 |
4 |
10 |
C4H12N2 |
1,2-Butanediamine |
1.459 |
1 |
14 |
|
|
1.470 |
8 |
17 |
CH(CN)3 |
tricyanomethane |
1.166 |
3 |
6 |
|
|
1.166 |
4 |
7 |
|
|
1.166 |
5 |
8 |
HN=C=C(CN)2 |
Dicyanoketenimine |
1.210 |
2 |
3 |
|
|
1.170 |
4 |
6 |
|
|
1.170 |
5 |
7 |
C5H5NO |
3-Pyridinol |
1.336 |
1 |
2 |
|
|
1.336 |
1 |
6 |
C5H5NO |
2-Pyridinol |
1.328 |
1 |
2 |
|
|
1.345 |
1 |
6 |
C5H5NO |
4-Pyridinol |
1.337 |
1 |
2 |
|
|
1.342 |
1 |
6 |
C5H5NO |
3(2H)-Pyridinone |
1.454 |
1 |
2 |
|
|
1.278 |
1 |
6 |
C5H5NO |
3(6H)-Pyridinone |
1.277 |
1 |
2 |
|
|
1.450 |
1 |
6 |
C5H5NO |
3(4H)-Pyridinone |
1.283 |
1 |
2 |
|
|
1.416 |
1 |
6 |
C5H5NO |
2(5H)-Pyridinone |
1.434 |
1 |
2 |
|
|
1.280 |
1 |
6 |
C5H5NO |
2(3H)-Pyridinone |
1.418 |
1 |
2 |
|
|
1.282 |
1 |
6 |
C5H5NO |
4(3H)-Pryidinone |
1.286 |
1 |
2 |
|
|
1.410 |
1 |
6 |
C5H5NO |
4(1H)-Pryidinone |
1.374 |
1 |
2 |
|
|
1.374 |
1 |
6 |
C5H5NO |
2(1H)-Pyridinone |
1.405 |
1 |
2 |
|
|
1.371 |
1 |
6 |
C6H5NH2 |
aniline |
1.399 |
1 |
7 |
C6H5NO2 |
Nitrobenzene |
1.479 |
1 |
7 |