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Compare Calculated Bonds for N-C

17 01 10 14 40

SVWN/6-31G(2df,p)

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
1.327 0.107

  Species Name Bond Length (Å)
Lowest value C2H5NH+ Protonated Aziridine 1.027
Highest value CH5N2O+ urea, N-protonated 1.560

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CN- cyanide anion 1.181 1 2
CN Cyano radical 1.174 1 2
HCN Hydrogen cyanide 1.157 1 3
HCN+ hydrogen cyanide cation 1.221 1 3
HNC+ hydrogen isocyanide cation 1.140 1 2
H2CN Dihydrogen cyanide radical 1.237 1 2
CNH2 Aminomethylidyne radical 1.284 1 2
HCNH methyleneazane 1.232 1 2
CH2NH Methanimine 1.266 1 2
CH2NH+ Methanimine cation 1.218 1 2
CHNH2 aminomethylene 1.302 1 2
CH2NH2+ methyleneamine cation 1.272 1 2
CH3NH2 methyl amine 1.443 1 2
CH3NH2+ methyl amine cation 1.379 1 2
CH3NH3 methyl ammonium radical 1.488 1 2
NCN Cyanoimidogen 1.230 1 2
    1.230 1 3
LiCN lithium cyanide 1.182 2 3
CNN Diazocarbene 1.252 1 2
CN2 3H-Diazirin-3-ylidene 1.393 1 2
    1.393 1 3
NaCN Sodium Cyanide 1.184 1 2
AlCN Aluminum monocyanide 1.170 2 3
AlNC Aluminum isocyanide 1.188 2 3
KCN Potassium cyanide 1.181 2 3
ZnCN Zinc monocyanide 1.167 2 3
ZnNC Zinc isocyanide 1.183 2 3
NCO isocyanato radical 1.226 1 2
CNF iso cyanogen fluoride 1.184 1 2
BrCN Cyanogen bromide 1.166 1 2
HCCN cyanomethylene 1.211 2 3
HNCO Isocyanic acid 1.211 2 3
HCNO fulminic acid 1.171 2 3
HSCN thiocyanic acid 1.167 2 3
HNCS Isothiocyanic acid 1.203 1 2
HNCNH diiminomethane 1.222 1 2
    1.222 1 3
CH2N2 diazirine 1.470 1 2
    1.470 1 3
CH2NN diazomethane 1.282 1 2
NH2CN cyanamide 1.169 1 2
    1.317 1 3
CH3CN- acetonitrile anion 1.226 2 3
CH3CN Acetonitrile 1.161 2 3
CH3CN+ Acetonitrile cation 1.207 2 3
CHNCH2 2H-Azirine 1.258 1 2
    1.551 1 3
HCNCH2+ 2H-Azirine cation 1.214 1 2
    1.437 1 3
CHNHCH 1H-Azirine 1.504 1 2
    1.504 1 3
NCNH3+ Cyanamide, protonated 1.159 1 2
    1.393 1 3
HNCNH2+ diiminomethane, protonated 1.162 1 2
    1.275 1 3
NH3CN+ cyanamide, amine protonated 1.393 1 2
    1.159 1 3
H2CCNH Ethenimine 1.222 2 3
HCCNH2 Ethynamine 1.334 2 3
NH2CNH+ cyanamide, cn protonated 1.156 1 2
    1.277 1 3
H2CNCH methyleneaminomethylene 1.273 1 2
    1.212 2 3
CHONH2 formamide 1.349 1 3
CH2NOH formaldoxime 1.271 1 2
CH3NO nitrosomethane 1.459 1 2
CNOH3 1,2-oxaziridine 1.432 1 2
HOCHNH hydroxymethylimine 1.264 1 3
CHSNH2 thioformamide 1.333 1 3
NHCHSH Methanimidothioic acid 1.267 1 2
NHCHNH2 aminomethanimine 1.356 1 2
    1.274 1 3
CH3CHN methylmethaniminyl radical 1.243 1 3
CH2CHNH vinylazine 1.309 1 3
H2CONH2+ protonated formamide 1.295 1 3
NH2CHOH+ Formamide, O-protonated 1.295 1 3
C2H5N Aziridine 1.454 1 3
    1.454 1 4
CH3CHNH ethanimine 1.268 2 3
NH2CH2OH aminomethanol 1.424 1 2
NH2CH2NH2 diaminomethane 1.444 1 2
    1.444 1 3
C2H5NH+ Protonated Aziridine 1.027 1 2
    1.027 1 3
C2H6N+ aziridine, protonated 1.477 1 2
    1.477 1 3
CH3CH2NH2 Ethylamine 1.445 1 2
CH3NHCH3 Dimethylamine 1.432 1 3
    1.432 1 4
(CH3)2NH2+ dimethylammonium cation 1.479 1 2
    1.479 1 3
CH3CH2NH3+ ethylamine, protonated 1.497 1 2
C2N2 Cyanogen 1.166 1 3
    1.166 2 4
HNCCNH Ethenediimine 1.243 1 3
    1.243 2 4
H2CNCN cyanamide, methylene 1.274 1 2
    1.171 3 4
    1.318 2 3
C3H3N acrylonitrile 1.165 1 2
C3H3N+ acrylonitrile cation 1.186 1 2
CH3N3 methyl azide 1.442 1 2
CH3NO2 Methane, nitro- 1.476 1 2
HOCH2CN cyanomethanol 1.162 2 7
NH2COOH Carbamic acid 1.348 1 3
CH3NCO methylisocyante 1.405 1 2
    1.198 2 3
C2H3NO Nitrosoethylene 1.409 2 3
NH2CH2CN Aminoacetonitrile 1.163 3 4
    1.442 1 2
NH2CCNH2 Diaminoacetylene 1.343 1 3
    1.343 2 4
CH3NHN2+ methyl azide, protonated 1.470 1 2
NH2CONH2 Urea 1.375 1 3
    1.375 1 4
NH3COOH+ protonated Carbamic acid 1.522 1 3
NH2COOH2+ Carbamic acid, O-protonated 1.307 1 3
NH2CSNH2 Thiourea 1.351 1 3
    1.351 1 4
C2H5CN ethyl cyanide 1.162 3 4
CH5N3 Guanidine 1.278 1 2
    1.382 1 3
    1.379 1 4
CH3CONH2 Acetamide 1.356 2 3
CH3CHNOH Acetaldoxime 1.277 2 3
HCONHCH3 N-methylformamide 1.345 1 3
    1.436 3 4
CH5N2O+ urea, N-protonated 1.560 1 3
    1.323 1 4
CH3C(OH)=NH Ethaninidic acid 1.269 1 3
H2NCOHNH2+ urea, protonated 1.320 1 3
    1.314 1 4
CH3CSNH2 Ethanethioamide 1.337 1 4
H2NCHCHNH2 diaminoethylene 1.394 1 3
    1.394 2 4
CH3NNCH3 (Z)-1,2-Dimethyldiazene 1.450 1 3
    1.450 2 4
CH6N3+ guanidinium 1.326 1 2
    1.326 1 3
    1.326 1 4
CH3NNCH3 (E)-1,2-Dimethyldiazene 1.437 1 3
    1.437 2 4
CH7N3 triaminomethane 1.442 1 3
    1.442 1 4
    1.442 1 5
HOCH2CH2NH2 monoethanolamine 1.450 1 2
C2H8N2 Ethylenediamine 1.442 1 3
    1.442 2 4
CH3CH(NH2)CH3 2-Propanamine 1.447 1 2
N(CH3)3 Trimethylamine 1.430 1 2
    1.430 1 3
    1.430 1 4
NH2CH2CH2CH3 1-Propanamine 1.443 3 4
C3H7NH3+ n-propylamine, protonated 1.496 3 4
(CH3)3NH+ protonated trimethyl amine 1.034 1 2
    1.476 1 3
    1.476 1 4
C3H2N2 Malononitrile 1.160 2 6
    1.160 3 7
CH2N4 1H-Tetrazole 1.342 1 2
    1.309 1 5
C2H2N2O Furazan 1.307 2 4
    1.307 3 5
C3H3N2- imidizolyl anion 1.344 1 2
    1.344 1 3
    1.361 2 4
    1.361 3 5
C3H3N2 imidazolyl radical 1.364 1 2
    1.364 1 3
    1.315 2 4
    1.315 3 5
C3H3NO Isoxazole 1.311 2 4
C3H3NO Oxazole 1.291 2 3
    1.377 3 4
C3H3NS Thiazole 1.299 2 4
    1.356 4 5
C3H4N2 1H-Pyrazole 1.348 2 9
    1.329 6 7
C3H4N2 1H-Imidazole 1.311 2 4
    1.362 4 5
    1.355 1 2
    1.365 1 3
C3H4N2 4H-Imidazole 1.286 2 3
    1.433 3 4
    1.407 1 2
    1.290 1 5
C3H4N2 2H-Imidazole 1.345 1 2
    1.345 1 3
    1.256 2 4
    1.256 3 5
C4H4N- pyrrolide anion 1.353 1 2
    1.353 1 3
C4H4N pyrrolide radical 1.338 1 2
    1.338 1 3
C4H5N Pyrrole 1.361 1 3
    1.361 1 4
H2NCH2COOH Glycine 1.433 4 5
CH2CHCONH2 Acrylamide 1.356 2 3
CH3OCH2CN Methoxyacetonitrile 1.162 4 5
CH5N3S Hydrazinecarbothioamide 1.335 4 7
    1.358 2 4
C3H6N2 3-Aminopropionitrile 1.432 3 6
    1.162 10 11
C4H6N+ pyrrole, protonated 1.460 1 2
    1.460 1 3
C4H6N+ pyrrole, beta-protonated 1.301 1 2
    1.402 1 3
C4H6N+ pyrrole, alpha-protonated 1.432 1 2
    1.307 1 3
CH3CH(CH3)CN Propanenitrile, 2-methyl- 1.162 1 2
CH3CH2CH2CN Butanenitrile 1.162 1 2
C3H7NO dimethylformamide 1.353 1 3
    1.427 3 4
    1.422 3 5
C3H7NO Propanamide 1.354 3 5
C4H9N Pyrrolidine 1.443 1 3
    1.443 1 4
C3H10N2 1,2-Diaminopropane 1.445 1 14
    1.441 4 7
C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- 1.443 1 4
C(NH2)H2CH2CH2CH3 1-Butanamine 1.443 1 2
NH(C2H5)2 diethylamine 1.434 1 2
    1.434 1 3
NC4H12+ tetramethyl ammonium cation 1.477 1 2
    1.477 1 3
    1.477 1 4
    1.477 1 5
CF3CN Acetonitrile, trifluoro- 1.159 2 3
C2H2N4 sym-tetrazine 1.331 1 3
    1.331 2 5
    1.331 2 6
C4H2N2 Fumaronitrile 1.165 3 5
    1.165 4 6
C4H4N2 Succinonitrile 1.161 3 6
    1.161 4 5
C4H4N2 Pyridazine 1.330 3 10
    1.330 4 9
C4H4N2 1,3-Diazine 1.328 2 5
    1.328 2 6
    1.329 3 5
    1.329 4 6
C4H4N2 Pyrazine 1.328 1 3
    1.328 1 4
    1.328 2 5
    1.328 2 6
C2H4N2S2 Ethanedithioamide 1.319 1 5
    1.319 2 6
C5H5N Pyridine 1.328 1 3
    1.328 1 4
C5H6N+ Pyridinium 1.341 1 2
    1.341 1 3
C5H7N 1H-Pyrrole, 1-methyl- 1.427 1 13
    1.362 9 13
    1.362 11 13
HCONH2CN2H4 formamide aminomethanimine dimer 1.329 6 7
    1.323 2 4
    1.291 3 6
NH2COOC2H5 Urethane 1.363 9 12
CH3CH(NH2)COOH Alanine 1.458 1 3
C4H7NO Methacrylamide 1.103 4 6
NH2CH2CH2COOH β–alanine 1.458 1 2
CH3NHCH2COOH Sarcosine 1.443 1 2
    1.447 1 3
C4H7NO Ethoxyacetonitrile 1.161 5 6
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1.367 1 3
    1.367 1 4
    1.427 3 5
    1.427 4 6
C5H9N Pentanenitrile 1.162 5 6
CH(CN)3 tricyanomethane 1.159 3 6
    1.159 4 7
    1.159 5 8
HN=C=C(CN)2 Dicyanoketenimine 1.199 2 3
    1.164 4 6
    1.164 5 7
C5H5NO 3-Pyridinol 1.323 1 2
    1.328 1 6
C5H5NO 2-Pyridinol 1.324 1 2
    1.330 1 6
C6H5NH2 aniline 1.373 1 7
HO2CCHNH2CH2OH Serine 1.442 4 7
C6H15N triethylamine 1.440 1 2
    1.440 1 3
    1.440 1 4
C6H5CN phenyl cyanide 1.164 1 2
C6H5NO nitrosobenzene 1.423 1 7
C8H6 benzocyclobutadiene 1.350 4 8
    1.502 5 8
    1.427 7 8
C5H9NO2 Proline 1.439 1 5
    1.447 4 5
C6H12N2 Triethylenediamine 1.448 1 3
    1.448 1 4
    1.448 1 5
    1.448 2 6
    1.448 2 7
    1.448 2 8
C(CN)4 tetracyanomethane 1.159 2 6
    1.159 3 7
    1.159 4 8
    1.159 5 9
C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- 1.322 1 5
    1.322 1 6
    1.322 2 4
    1.322 2 6
    1.322 3 4
    1.322 3 5
C3H3N3O3 cyanuric acid 1.378 1 4
    1.378 1 6
    1.378 2 4
    1.378 2 5
    1.378 3 5
    1.378 3 6
C5H4N4 purine 1.376 8 9
    1.322 2 3
    1.354 4 9
    1.372 5 7
    1.305 7 8
    1.323 3 4
    1.345 1 2
    1.319 1 6
C6H5NO2 Nitrobenzene 1.454 1 7
C6N4 Tetracyanoethylene 1.160 3 7
    1.160 4 8
    1.160 5 9
    1.160 6 10
C12H10N2 azobenzene 1.394 1 3
    1.394 2 4