Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
CN |
Cyano radical |
1.192 |
1 |
2 |
HCN |
Hydrogen cyanide |
1.175 |
1 |
3 |
HNC |
hydrogen isocyanide |
1.191 |
1 |
2 |
CH2NH |
Methanimine |
1.286 |
1 |
2 |
CH3NH2 |
methyl amine |
1.470 |
1 |
2 |
FCN |
Cyanogen fluoride |
1.179 |
1 |
3 |
ClCN |
chlorocyanogen |
1.181 |
2 |
3 |
HNCO |
Isocyanic acid |
1.234 |
2 |
3 |
HOCN |
cyanic acid |
1.182 |
1 |
2 |
HCNO |
fulminic acid |
1.179 |
2 |
3 |
CH2NN |
diazomethane |
1.303 |
1 |
2 |
CH3CN |
Acetonitrile |
1.178 |
2 |
3 |
CH3NC |
methyl isocyanide |
1.431 |
1 |
2 |
|
|
1.192 |
2 |
3 |
CHONH2 |
formamide |
1.374 |
1 |
3 |
NHCHNH2 |
aminomethanimine |
1.388 |
1 |
2 |
|
|
1.292 |
1 |
3 |
C2H5N |
Aziridine |
1.477 |
1 |
3 |
|
|
1.477 |
1 |
4 |
CH3CH2NH2 |
Ethylamine |
1.474 |
1 |
2 |
CH3NHCH3 |
Dimethylamine |
1.462 |
1 |
3 |
|
|
1.462 |
1 |
4 |
C2N2 |
Cyanogen |
1.180 |
1 |
3 |
|
|
1.180 |
2 |
4 |
HCCCN |
Cyanoacetylene |
1.183 |
1 |
2 |
C3H3N |
acrylonitrile |
1.181 |
1 |
2 |
NH2CONH2 |
Urea |
1.400 |
1 |
3 |
|
|
1.400 |
1 |
4 |
NH2CSNH2 |
Thiourea |
1.381 |
1 |
3 |
|
|
1.381 |
1 |
4 |
CH3CONH2 |
Acetamide |
1.379 |
2 |
3 |
CH3CHNOH |
Acetaldoxime |
1.289 |
2 |
3 |
C3H7N |
Cyclopropylamine |
1.451 |
1 |
3 |
C2H8N2 |
Ethylenediamine |
1.473 |
1 |
3 |
|
|
1.473 |
2 |
4 |
CH3CH(NH2)CH3 |
2-Propanamine |
1.477 |
1 |
2 |
N(CH3)3 |
Trimethylamine |
1.457 |
1 |
2 |
|
|
1.457 |
1 |
3 |
|
|
1.457 |
1 |
4 |
C3H2N2 |
Malononitrile |
1.177 |
2 |
6 |
|
|
1.177 |
3 |
7 |
C3H3NO |
Isoxazole |
1.383 |
2 |
4 |
C3H4N2 |
1H-Pyrazole |
1.365 |
2 |
9 |
|
|
1.341 |
6 |
7 |
C3H4N2 |
1H-Imidazole |
2.566 |
2 |
4 |
|
|
2.280 |
4 |
5 |
|
|
3.207 |
1 |
2 |
|
|
2.284 |
1 |
3 |
C4H5N |
Pyrrole |
1.378 |
1 |
3 |
|
|
1.378 |
1 |
4 |
C4H5N |
(E)-2-Butenenitrile |
1.182 |
9 |
10 |
C4H5N |
(Z)-2-Butenenitrile |
1.182 |
1 |
2 |
C4H5N |
Cyclopropanecarbonitrile |
1.180 |
7 |
8 |
H2NCH2COOH |
Glycine |
1.457 |
4 |
5 |
CH2CHCONH2 |
Acrylamide |
1.381 |
2 |
3 |
CH3OCH2CN |
Methoxyacetonitrile |
1.178 |
4 |
5 |
CH5N3S |
Hydrazinecarbothioamide |
1.359 |
4 |
7 |
|
|
1.378 |
2 |
4 |
C3H6N2 |
3-Aminopropionitrile |
1.461 |
3 |
6 |
|
|
1.179 |
10 |
11 |
C2H6N2O |
Urea, methyl- |
1.456 |
1 |
6 |
|
|
1.399 |
7 |
10 |
|
|
1.387 |
6 |
7 |
C3H7NO |
Propanamide |
1.382 |
3 |
5 |
C4H9N |
Pyrrolidine |
1.468 |
1 |
3 |
|
|
1.468 |
1 |
4 |
C4H9N |
Cyclobutylamine |
1.470 |
1 |
10 |
C3H10N2 |
1,2-Diaminopropane |
1.476 |
1 |
14 |
|
|
1.470 |
4 |
7 |
C(NH2)H2C(CH3)HCH3 |
1-Propanamine, 2-methyl- |
1.473 |
1 |
4 |
C(NH2)H2CH2CH2CH3 |
1-Butanamine |
1.471 |
1 |
2 |
CH3C(NH2)HCH2CH3 |
2-Butanamine |
1.477 |
1 |
8 |
C4N2 |
2-Butynedinitrile |
1.184 |
3 |
5 |
|
|
1.184 |
4 |
6 |
CF3CN |
Acetonitrile, trifluoro- |
1.175 |
2 |
3 |
CH3N5 |
5-Aminotetrazole |
1.356 |
1 |
3 |
|
|
1.328 |
1 |
6 |
|
|
1.389 |
1 |
9 |
C2H3NO3 |
Oxamic acid |
1.365 |
2 |
6 |
C4H4N2 |
Succinonitrile |
1.178 |
3 |
6 |
|
|
1.178 |
4 |
5 |
C4H4N2 |
Pyridazine |
1.343 |
3 |
10 |
|
|
1.343 |
4 |
9 |
C4H4N2 |
1,3-Diazine |
1.345 |
2 |
5 |
|
|
1.345 |
2 |
6 |
|
|
1.345 |
3 |
5 |
|
|
1.345 |
4 |
6 |
C4H4N2 |
Pyrazine |
1.343 |
1 |
3 |
|
|
1.343 |
1 |
4 |
|
|
1.343 |
2 |
5 |
|
|
1.343 |
2 |
6 |
C2H4N4 |
1H-Tetrazole, 5-methyl- |
1.357 |
2 |
7 |
|
|
1.328 |
1 |
2 |
C2H4N4 |
1H-Tetrazole, 1-methyl- |
1.352 |
1 |
2 |
|
|
1.326 |
1 |
5 |
|
|
1.457 |
2 |
7 |
C2H4N4 |
2H-Tetrazole, 2-methyl- |
1.338 |
2 |
3 |
|
|
1.358 |
2 |
4 |
|
|
1.456 |
6 |
10 |
C2H4N2O2 |
Oxalamide |
1.358 |
1 |
5 |
|
|
1.358 |
2 |
6 |
C5H5N |
Pyridine |
1.344 |
1 |
3 |
|
|
1.344 |
1 |
4 |
C5H5N |
Bicyclo[1.1.0]butane-1-carbonitrile |
1.182 |
10 |
11 |
C4H5NO |
Isoxazole, 5-methyl- |
1.322 |
7 |
8 |
C4H5NO |
3-Methylisoxazole |
1.325 |
7 |
8 |
C4H5NS |
4-Methylthiazole |
1.383 |
2 |
9 |
|
|
1.310 |
3 |
9 |
C4H6N2 |
1H-Imidazole, 2-methyl- |
1.327 |
7 |
8 |
|
|
1.381 |
8 |
9 |
|
|
1.376 |
5 |
7 |
|
|
1.386 |
5 |
11 |
C2H6N2O2 |
Dimethylnitroamine |
1.459 |
6 |
12 |
|
|
1.459 |
10 |
12 |
C2H6N2O2 |
(E)-Azodioxymethane |
1.460 |
1 |
5 |
|
|
1.460 |
2 |
6 |
CH6N4S |
Carbonothioic dihydrazide |
1.367 |
1 |
3 |
|
|
1.391 |
1 |
5 |
C5H7N |
1H-Pyrrole, 1-methyl- |
1.453 |
1 |
13 |
|
|
1.378 |
9 |
13 |
|
|
1.378 |
11 |
13 |
C5H7N |
Cyclobutanecarbonitrile |
1.180 |
1 |
2 |
C5H7N |
(E)-3-Pentenenitrile |
1.179 |
10 |
11 |
C5H7N |
(Z)-2-Pentenenitrile |
1.182 |
1 |
2 |
C5H7N |
(E)-2-Pentenenitrile |
1.182 |
1 |
2 |
HCONH2CN2H4 |
formamide aminomethanimine dimer |
1.363 |
6 |
7 |
|
|
1.356 |
2 |
4 |
|
|
1.304 |
3 |
6 |
NH2COOC2H5 |
Urethane |
1.392 |
9 |
12 |
CH3CH(NH2)COOH |
Alanine |
1.479 |
1 |
3 |
C4H7NO |
Methacrylamide |
1.101 |
4 |
6 |
NH2CH2CH2COOH |
β–alanine |
1.482 |
1 |
2 |
CH3NHCH2COOH |
Sarcosine |
1.469 |
1 |
2 |
|
|
1.469 |
1 |
3 |
C4H7NO |
2-Pyrrolidinone |
1.379 |
1 |
2 |
|
|
1.458 |
1 |
5 |
C4H7NO |
Oxazole, 4,5-dihydro-2-methyl- |
1.470 |
3 |
4 |
|
|
1.284 |
4 |
6 |
N(CH3)2CONH2 |
Urea, N,N-dimethyl- |
1.382 |
3 |
4 |
|
|
1.407 |
3 |
6 |
|
|
1.454 |
4 |
10 |
|
|
1.453 |
4 |
14 |
NH2CONHC2H5 |
Urea, ethyl- |
1.462 |
5 |
8 |
|
|
1.385 |
8 |
13 |
|
|
1.400 |
10 |
13 |
C5H9N |
Pentanenitrile |
1.179 |
5 |
6 |
C5H9N |
Propanenitrile, 2,2-dimethyl- |
1.179 |
2 |
6 |
C5H9N |
1,2,3,6-Tetrahydropyridine |
1.469 |
10 |
15 |
|
|
1.467 |
13 |
15 |
C5H9N |
Butanenitrile, 2-methyl- |
1.179 |
1 |
2 |
C4H9NO |
Butanamide |
1.380 |
11 |
14 |
C4H9NO |
Propanamide, 2-methyl- |
1.378 |
10 |
13 |
C5H11N |
Piperidine |
1.469 |
6 |
8 |
|
|
1.469 |
7 |
8 |
C5H11N |
Cyclopentanamine |
1.470 |
1 |
2 |
C4H11NO |
Diethylhydroxylamine |
1.465 |
1 |
6 |
|
|
1.465 |
1 |
7 |
C4H12N2 |
2-Methyl-1,2-propanediamine |
1.479 |
1 |
7 |
|
|
1.468 |
4 |
10 |
C4H12N2 |
1,2-Butanediamine |
1.468 |
1 |
14 |
|
|
1.479 |
8 |
17 |
C5H5NO |
3-Pyridinol |
1.340 |
1 |
2 |
|
|
1.343 |
1 |
6 |
C5H5NO |
2-Pyridinol |
1.335 |
1 |
2 |
|
|
1.348 |
1 |
6 |
C5H5NO |
4-Pyridinol |
1.343 |
1 |
2 |
|
|
1.347 |
1 |
6 |
C5H5NO |
3(2H)-Pyridinone |
1.451 |
1 |
2 |
|
|
1.289 |
1 |
6 |
C5H5NO |
3(6H)-Pyridinone |
1.287 |
1 |
2 |
|
|
1.449 |
1 |
6 |
C5H5NO |
3(4H)-Pyridinone |
1.295 |
1 |
2 |
|
|
1.410 |
1 |
6 |
C5H5NO |
2(5H)-Pyridinone |
1.434 |
1 |
2 |
|
|
1.288 |
1 |
6 |
C5H5NO |
2(3H)-Pyridinone |
1.420 |
1 |
2 |
|
|
1.300 |
1 |
6 |
C5H5NO |
4(3H)-Pryidinone |
1.292 |
1 |
2 |
|
|
1.410 |
1 |
6 |
C5H5NO |
4(1H)-Pryidinone |
1.377 |
1 |
2 |
|
|
1.377 |
1 |
6 |
C5H5NO |
2(1H)-Pyridinone |
1.415 |
1 |
2 |
|
|
1.369 |
1 |
6 |
C6H5NH2 |
aniline |
1.409 |
1 |
7 |
C6H5NO2 |
Nitrobenzene |
1.479 |
1 |
7 |
C8H7N |
Indole |
1.384 |
1 |
2 |
|
|
1.384 |
1 |
8 |