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Compare Calculated Bonds for N-C

17 01 10 14 40

B2PLYP/6-31G*

Histogram of Bond lengths (in Å) vs number of species


Values greater than 1.60 are in the 1.60 bin. Values less than 1.00 are in the 1.00 bin.

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1.00 1.05 1.10 1.15 1.20 1.25 1.30 1.35 1.40 1.45 1.50 1.55 1.60
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.341 0.113

  Species Name Bond Length (Å)
Lowest value C2H5NH+ Protonated Aziridine 1.020
Highest value CH5N2O+ urea, N-protonated 1.594

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CN- cyanide anion 1.190 1 2
CN Cyano radical 1.184 1 2
CN+ Cyano cation 1.197 1 2
HCN Hydrogen cyanide 1.164 1 3
HCN+ hydrogen cyanide cation 1.221 1 3
HNC hydrogen isocyanide 1.180 1 2
HNC+ hydrogen isocyanide cation 1.144 1 2
CH2NH Methanimine 1.273 1 2
CH2NH+ Methanimine cation 1.236 1 2
CHNH2 aminomethylene 1.318 1 2
CH2NH2+ methyleneamine cation 1.281 1 2
CH3NH2 methyl amine 1.464 1 2
CH3NH2+ methyl amine cation 1.424 1 2
CH3NH3 methyl ammonium radical 1.512 1 2
LiCN lithium cyanide 1.189 2 3
CNN Diazocarbene 1.236 1 2
NaCN Sodium Cyanide 1.190 1 2
AlCN Aluminum monocyanide 1.177 2 3
AlNC Aluminum isocyanide 1.193 2 3
KCN Potassium cyanide 1.189 2 3
ZnCN Zinc monocyanide 1.174 2 3
ZnNC Zinc isocyanide 1.190 2 3
NCO isocyanato radical 1.236 1 2
SCN thiocyanato radical 1.183 1 3
FCN Cyanogen fluoride 1.164 1 3
CNF iso cyanogen fluoride 1.191 1 2
ClCN chlorocyanogen 1.167 2 3
BrCN Cyanogen bromide 1.171 1 2
HCCN cyanomethylene 1.193 2 3
HNCO Isocyanic acid 1.222 2 3
HOCN cyanic acid 1.167 1 2
HCNO fulminic acid 1.178 2 3
HSCN thiocyanic acid 1.172 2 3
HNCS Isothiocyanic acid 1.212 1 2
HNCNH diiminomethane 1.232 1 2
    1.232 1 3
CH2N2 diazirine 1.479 1 2
    1.479 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
CH3CN+ Acetonitrile cation 1.221 2 3
CHNCH2 2H-Azirine 1.263 1 2
    1.568 1 3
HCNCH2+ 2H-Azirine cation 1.217 1 2
    1.467 1 3
CHNHCH 1H-Azirine 1.523 1 2
    1.523 1 3
CH3NC methyl isocyanide 1.423 1 2
    1.179 2 3
NCNH3+ Cyanamide, protonated 1.166 1 2
    1.413 1 3
HNCNH2+ diiminomethane, protonated 1.170 1 2
    1.287 1 3
NH3CN+ cyanamide, amine protonated 1.413 1 2
    1.166 1 3
H2CCNH Ethenimine 1.233 2 3
HCCNH2 Ethynamine 1.362 2 3
NH2CNH+ cyanamide, cn protonated 1.159 1 2
    1.292 1 3
H2CNCH methyleneaminomethylene 1.284 1 2
    1.225 2 3
CHONH2 formamide 1.362 1 3
CH2NOH formaldoxime 1.277 1 2
CH3NO nitrosomethane 1.486 1 2
CNOH3 1,2-oxaziridine 1.439 1 2
HOCHNH hydroxymethylimine 1.269 1 3
CHSNH2 thioformamide 1.345 1 3
NHCHSH Methanimidothioic acid 1.274 1 2
NHCHNH2 aminomethanimine 1.378 1 2
    1.280 1 3
CH2CHNH vinylazine 1.313 1 3
NH2CHOH+ Formamide, O-protonated 1.302 1 3
C2H5N Aziridine 1.473 1 3
    1.473 1 4
CH2CHNH2 aminoethene 1.399 2 3
CH3CHNH ethanimine 1.277 2 3
NH2CH2OH aminomethanol 1.442 1 2
C2H5NH+ Protonated Aziridine 1.020 1 2
    1.020 1 3
C2H6N+ aziridine, protonated 1.501 1 2
    1.501 1 3
CH3CH2NH2 Ethylamine 1.467 1 2
CH3NHCH3 Dimethylamine 1.454 1 3
    1.454 1 4
(CH3)2NH2+ dimethylammonium cation 1.506 1 2
    1.506 1 3
CH3CH2NH3+ ethylamine, protonated 1.527 1 2
C2N2 Cyanogen 1.172 1 3
    1.172 2 4
C2N2+ Cyanogen cation 1.202 1 3
    1.202 2 4
HCCCN Cyanoacetylene 1.168 1 2
HCCCN+ Cyanoacetylene cation 1.181 1 2
HNCCNH Ethenediimine 1.254 1 3
    1.254 2 4
H2CNCN cyanamide, methylene 1.283 1 2
    1.174 3 4
    1.350 2 3
C3H3N acrylonitrile 1.167 1 2
C3H3N+ acrylonitrile cation 1.183 1 2
CH3N3 methyl azide 1.473 1 2
CH3NO2 Methane, nitro- 1.500 1 2
HOCH2CN cyanomethanol 1.168 2 7
NH2COOH Carbamic acid 1.364 1 3
CH3NCO methylisocyante 1.443 1 2
    1.210 2 3
C2H3NO Nitrosoethylene 1.427 2 3
NH2CH2CN Aminoacetonitrile 1.168 3 4
    1.459 1 2
NH2CCNH2 Diaminoacetylene 1.362 1 3
    1.362 2 4
CH3NHN2+ methyl azide, protonated 1.495 1 2
NH2CONH2 Urea 1.390 1 3
    1.390 1 4
NH2CONH2+ Urea cation 1.409 1 3
    1.409 1 4
NH3COOH+ protonated Carbamic acid 1.541 1 3
NH2COOH2+ Carbamic acid, O-protonated 1.313 1 3
NH2CSNH2 Thiourea 1.369 1 3
    1.369 1 4
C2H5CN ethyl cyanide 1.168 3 4
CH3CONH2 Acetamide 1.374 2 3
CH3CHNOH Acetaldoxime 1.277 2 3
HCONHCH3 N-methylformamide 1.358 1 3
    1.455 3 4
CH5N2O+ urea, N-protonated 1.594 1 3
    1.332 1 4
CH3C(OH)=NH Ethaninidic acid 1.275 1 3
H2NCOHNH2+ urea, protonated 1.328 1 3
    1.321 1 4
CH3CSNH2 Ethanethioamide 1.349 1 4
H2NCHCHNH2 diaminoethylene 1.417 1 3
    1.417 2 4
CH3NNCH3 (Z)-1,2-Dimethyldiazene 1.482 1 3
    1.482 2 4
CH3NNCH3 (E)-1,2-Dimethyldiazene 1.467 1 3
    1.467 2 4
C3H7N Cyclopropylamine 1.439 1 3
CH7N3 triaminomethane 1.460 1 3
    1.460 1 4
    1.460 1 5
HOCH2CH2NH2 monoethanolamine 1.471 1 2
C2H8N2 Ethylenediamine 1.464 1 3
    1.464 2 4
CH3NHNHCH3 dimethyl hydrazine 1.462 1 3
    1.462 2 4
CH3CH(NH2)CH3 2-Propanamine 1.467 1 2
N(CH3)3 Trimethylamine 1.452 1 2
    1.452 1 3
    1.452 1 4
NH2CH2CH2CH3 1-Propanamine 1.464 3 4
C3H7NH3+ n-propylamine, protonated 1.527 3 4
(CH3)3NH+ protonated trimethyl amine 1.025 1 2
    1.504 1 3
    1.504 1 4
C3H2N2 Malononitrile 1.166 2 6
    1.166 3 7
CH2N4 1H-Tetrazole 1.347 1 2
    1.318 1 5
C2H2N2O Furazan 1.313 2 4
    1.313 3 5
C3H3N2- imidizolyl anion 1.353 1 2
    1.353 1 3
    1.372 2 4
    1.372 3 5
C3H3N2 imidazolyl radical 1.374 1 2
    1.374 1 3
    1.322 2 4
    1.322 3 5
C3H3NO Isoxazole 1.316 2 4
C3H3NO Oxazole 1.296 2 3
    1.391 3 4
C3H3NS Thiazole 1.305 2 4
    1.377 4 5
C3H4N2 1H-Imidazole 1.317 2 4
    1.379 4 5
    1.366 1 2
    1.380 1 3
C3H4N2 4H-Imidazole 1.288 2 3
    1.460 3 4
    1.430 1 2
    1.293 1 5
C3H4N2 2H-Imidazole 1.358 1 2
    1.358 1 3
    1.260 2 4
    1.260 3 5
C4H4N- pyrrolide anion 1.366 1 2
    1.366 1 3
C4H4N pyrrolide radical 1.347 1 2
    1.347 1 3
C4H5N Pyrrole 1.380 1 3
    1.380 1 4
C4H5N (E)-2-Butenenitrile 1.168 9 10
C4H5N (Z)-2-Butenenitrile 1.166 1 2
C4H5N Cyclopropanecarbonitrile 1.158 7 8
H2NCH2COOH Glycine 1.451 4 5
CH2CHCONH2 Acrylamide 1.370 2 3
CH3OCH2CN Methoxyacetonitrile 1.165 4 5
CH5N3S Hydrazinecarbothioamide 1.382 4 7
    1.386 2 4
C3H6N2 3-Aminopropionitrile 1.455 3 6
    1.168 10 11
C4H6N+ pyrrole, protonated 1.485 1 2
    1.485 1 3
C4H6N+ pyrrole, beta-protonated 1.303 1 2
    1.429 1 3
C4H6N+ pyrrole, alpha-protonated 1.462 1 2
    1.310 1 3
C2H6N2O Urea, methyl- 1.480 1 6
    1.395 7 10
    1.400 6 7
CH3CH(CH3)CN Propanenitrile, 2-methyl- 1.168 1 2
CH3CH2CH2CN Butanenitrile 1.168 1 2
C3H7NO dimethylformamide 1.365 1 3
    1.451 3 4
    1.447 3 5
C3H7NO Propanamide 1.372 3 5
C4H9N Pyrrolidine 1.462 1 3
    1.462 1 4
C4H9N Cyclobutylamine 1.466 1 10
C3H10N2 1,2-Diaminopropane 1.476 1 14
    1.477 4 7
C(CH3)3NH2 2-Propanamine, 2-methyl- 1.476 1 2
C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- 1.477 1 4
C(NH2)H2CH2CH2CH3 1-Butanamine 1.466 1 2
NH(C2H5)2 diethylamine 1.460 1 2
    1.460 1 3
CH3C(NH2)HCH2CH3 2-Butanamine 1.477 1 8
C4N2 2-Butynedinitrile 1.175 3 5
    1.175 4 6
CF3CN Acetonitrile, trifluoro- 1.166 2 3
CF3CN+ Acetonitrile, trifluoro- cation 1.239 2 3
C2H2N4 sym-tetrazine 1.341 1 3
    1.341 2 5
    1.341 2 6
C4H2N2 Fumaronitrile 1.171 3 5
    1.171 4 6
C3H3N3 1,3,5-Triazine 1.338 1 5
    1.338 1 6
    1.338 2 4
    1.338 2 5
    1.338 3 4
    1.338 3 6
CH3N5 5-Aminotetrazole 1.321 1 3
    1.309 1 6
    1.387 1 9
C2H3NO3 Oxamic acid 1.356 2 6
C4H4N2 Succinonitrile 1.164 3 6
    1.164 4 5
C4H4N2 Pyridazine 1.338 3 10
    1.338 4 9
C4H4N2 1,3-Diazine 1.339 2 5
    1.339 2 6
    1.334 3 5
    1.334 4 6
C4H4N2 Pyrazine 1.340 1 3
    1.340 1 4
    1.340 2 5
    1.340 2 6
C2H4N4 1H-Tetrazole, 5-methyl- 1.354 2 7
    1.320 1 2
C2H4N4 1H-Tetrazole, 1-methyl- 1.348 1 2
    1.319 1 5
    1.453 2 7
C2H4N4 2H-Tetrazole, 2-methyl- 1.312 2 3
    1.337 2 4
    1.449 6 10
C2H4N2O2 Oxalamide 1.348 1 5
    1.348 2 6
C2H4N2S2 Ethanedithioamide 1.333 1 5
    1.333 2 6
C5H5N Pyridine 1.336 1 3
    1.336 1 4
C5H5N Bicyclo[1.1.0]butane-1-carbonitrile 1.158 10 11
C4H5NO Isoxazole, 5-methyl- 1.296 7 8
C4H5NO 3-Methylisoxazole 1.302 7 8
C4H5NS 4-Methylthiazole 1.340 2 9
    1.299 3 9
C4H6N2 1H-Imidazole, 2-methyl- 1.310 7 8
    1.332 8 9
    1.334 5 7
    1.327 5 11
C5H6N+ Pyridinium 1.353 1 2
    1.353 1 3
C2H6N2O2 Dimethylnitroamine 1.469 6 12
    1.467 10 12
C2H6N2O2 (E)-Azodioxymethane 1.469 1 5
    1.469 2 6
CH6N4S Carbonothioic dihydrazide 1.354 1 3
    1.385 1 5
C5H7N 1H-Pyrrole, 1-methyl- 1.417 1 13
    1.331 9 13
    1.331 11 13
C5H7N Cyclobutanecarbonitrile 1.168 1 2
C5H7N (E)-3-Pentenenitrile 1.159 10 11
C5H7N (Z)-2-Pentenenitrile 1.165 1 2
C5H7N (E)-2-Pentenenitrile 1.164 1 2
HCONH2CN2H4 formamide aminomethanimine dimer 1.352 6 7
    1.343 2 4
    1.292 3 6
NH2COOC2H5 Urethane 1.393 9 12
CH3CH(NH2)COOH Alanine 1.471 1 3
C4H7NO Methacrylamide 1.089 4 6
NH2CH2CH2COOH β–alanine 1.473 1 2
CH3NHCH2COOH Sarcosine 1.463 1 2
    1.460 1 3
C4H7NO 2-Pyrrolidinone 1.374 1 2
    1.455 1 5
C4H7NO Oxazole, 4,5-dihydro-2-methyl- 1.468 3 4
    1.275 4 6
C4H7NO Ethoxyacetonitrile 1.167 5 6
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1.387 1 3
    1.387 1 4
    1.455 3 5
    1.455 4 6
N(CH3)2CONH2 Urea, N,N-dimethyl- 1.392 3 4
    1.389 3 6
    1.472 4 10
    1.478 4 14
NH2CONHC2H5 Urea, ethyl- 1.483 5 8
    1.394 8 13
    1.393 10 13
C5H9N Pentanenitrile 1.167 5 6
C5H9N Propanenitrile, 2,2-dimethyl- 1.169 2 6
C5H9N 1,2,3,6-Tetrahydropyridine 1.490 10 15
    1.482 13 15
C5H9N Butanenitrile, 2-methyl- 1.165 1 2
C4H9NO Butanamide 1.399 11 14
C4H9NO Propanamide, 2-methyl- 1.369 10 13
C5H11N Piperidine 1.464 6 8
    1.464 7 8
C5H11N Cyclopentanamine 1.464 1 2
C4H11NO Diethylhydroxylamine 1.473 1 6
    1.473 1 7
C4H12N2 2-Methyl-1,2-propanediamine 1.472 1 7
    1.478 4 10
C4H12N2 1,2-Butanediamine 1.473 1 14
    1.476 8 17
CH(CN)3 tricyanomethane 1.167 3 6
    1.167 4 7
    1.167 5 8
HN=C=C(CN)2 Dicyanoketenimine 1.211 2 3
    1.171 4 6
    1.171 5 7
C5H5NO 3-Pyridinol 1.336 1 2
    1.337 1 6
C5H5NO 2-Pyridinol 1.328 1 2
    1.345 1 6
C5H5NO 4-Pyridinol 1.337 1 2
    1.343 1 6
C5H5NO 3(2H)-Pyridinone 1.454 1 2
    1.278 1 6
C5H5NO 3(6H)-Pyridinone 1.277 1 2
    1.451 1 6
C5H5NO 3(4H)-Pyridinone 1.284 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 1.282 1 2
    1.413 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 1.402 1 7
C6H7N 2-Methylpyridine 1.344 1 2
    1.337 1 6
HO2CCHNH2CH2OH Serine 1.460 4 7
C6H5CN phenyl cyanide 1.170 1 2
C6H5NO nitrosobenzene 1.441 1 7
C5H9NO2 Proline 1.457 1 5
    1.463 4 5
C6H12N2 Triethylenediamine 1.472 1 3
    1.472 1 4
    1.472 1 5
    1.472 2 6
    1.472 2 7
    1.472 2 8
C(CN)4 tetracyanomethane 1.167 2 6
    1.167 3 7
    1.167 4 8
    1.167 5 9
C3H3N3O3 cyanuric acid 1.390 1 4
    1.390 1 6
    1.390 2 4
    1.390 2 5
    1.390 3 5
    1.390 3 6
C6H5NO2 Nitrobenzene 1.473 1 7
C8H7N Indole 1.383 1 2
    1.381 1 8
C12H10N2 azobenzene 1.421 1 3
    1.421 2 4