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Compare Calculated Bonds for C-N

17 01 10 14 40

MP4/3-21G

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


Values greater than 1.90 are in the 1.90 bin. Values less than 1.00 are in the 1.00 bin.

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1.00 1.10 1.20 1.30 1.40 1.50 1.60 1.70 1.80 1.90
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.358 0.133

  Species Name Bond Length (Å)
Lowest value C2H5NH+ Protonated Aziridine 1.026
Highest value CH5N2O+ urea, N-protonated 1.727

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CN- cyanide anion 1.214 1 2
CN+ Cyano cation 1.245 1 2
HCN Hydrogen cyanide 1.182 1 3
HCN+ hydrogen cyanide cation 1.199 1 3
HNC hydrogen isocyanide 1.203 1 2
HNC+ hydrogen isocyanide cation 1.133 1 2
H2CN Dihydrogen cyanide radical 1.240 1 2
H2CN+ hydrocyanonium cation 1.220 1 2
CNH2 Aminomethylidyne radical 1.331 1 2
CNH2+ N-protonated hydrogen isocyanide 1.274 1 2
HCNH methyleneazane 1.220 1 2
HCNH+ N-protonated HCN 1.160 1 2
CH2NH Methanimine 1.299 1 2
CH2NH+ Methanimine cation 1.240 1 2
CHNH2 aminomethylene 1.343 1 2
CH2NH2+ methyleneamine cation 1.297 1 2
CH3NH2 methyl amine 1.504 1 2
CH3NH2+ methyl amine cation 1.487 1 2
CH3NH3+ protonated methylamine 1.565 1 2
NCN Cyanoimidogen 1.237 1 2
    1.237 1 3
LiCN lithium cyanide 1.211 2 3
CN2 3H-Diazirin-3-ylidene 1.530 1 2
    1.530 1 3
NaCN Sodium Cyanide 1.217 1 2
KCN Potassium cyanide 1.211 2 3
NCO- cyanate 1.229 1 2
NCO isocyanato radical 1.240 1 2
CNO- fulminate 1.241 1 2
SCN- thiocyanide anion 1.200 1 3
SCN thiocyanato radical 1.159 1 3
FCN Cyanogen fluoride 1.191 1 3
CNF iso cyanogen fluoride 1.228 1 2
BrCN Cyanogen bromide 1.189 1 2
ICN Cyanogen iodide 1.191 2 3
HCCN cyanomethylene 1.176 2 3
HCNO fulminic acid 1.212 2 3
HSCN thiocyanic acid 1.188 2 3
HNCS Isothiocyanic acid 1.207 1 2
HNCNH diiminomethane 1.244 1 2
    1.244 1 3
CH2N2 diazirine 1.589 1 2
    1.589 1 3
CH2NN diazomethane 1.326 1 2
NH2CN cyanamide 1.192 1 2
    1.348 1 3
CH3CN- acetonitrile anion 1.236 2 3
CH3CN Acetonitrile 1.184 2 3
CH3CN+ Acetonitrile cation 1.209 2 3
CHNCH2 2H-Azirine 1.296 1 2
    1.664 1 3
HCNCH2+ 2H-Azirine cation 1.146 1 2
    1.397 1 3
CHNHCH 1H-Azirine 1.636 1 2
    1.636 1 3
CH3NC methyl isocyanide 1.460 1 2
    1.206 2 3
NCNH3+ Cyanamide, protonated 1.188 1 2
    1.444 1 3
HNCNH2+ diiminomethane, protonated 1.172 1 2
    1.304 1 3
NH3CN+ cyanamide, amine protonated 1.444 1 2
    1.188 1 3
HCCNH2 Ethynamine 1.357 2 3
NH2CNH+ cyanamide, cn protonated 1.172 1 2
    1.304 1 3
CHONH2 formamide 1.381 1 3
CH2NOH formaldoxime 1.302 1 2
CH3NO nitrosomethane 1.560 1 2
CNOH3 1,2-oxaziridine 1.520 1 2
HOCHNH hydroxymethylimine 1.284 1 3
CHSNH2 thioformamide 1.353 1 3
NHCHSH Methanimidothioic acid 1.284 1 2
NHCHNH2 aminomethanimine 1.392 1 2
    1.300 1 3
CH3CHN methylmethaniminyl radical 1.242 1 3
CH2CHNH vinylazine 1.340 1 3
H2CONH2+ protonated formamide 1.314 1 3
NH2CHOH+ Formamide, O-protonated 1.314 1 3
CH2CHNH2 aminoethene 1.416 2 3
CH2NCH3 N-methylmethanimine 1.510 1 2
    1.295 2 3
CH3CHNH ethanimine 1.299 2 3
NH2CH2NH2 diaminomethane 1.498 1 2
    1.498 1 3
C2H5NH+ Protonated Aziridine 1.026 1 2
    1.026 1 3
CH3CH2NH2 Ethylamine 1.504 1 2
(CH3)2NH2+ dimethylammonium cation 1.553 1 2
    1.553 1 3
CH3CH2NH3+ ethylamine, protonated 1.577 1 2
C2N2 Cyanogen 1.189 1 3
    1.189 2 4
HNCCNH Ethenediimine 1.272 1 3
    1.272 2 4
H2CNCN cyanamide, methylene 1.192 3 4
    1.306 1 2
    1.380 2 3
C3H3N+ acrylonitrile cation 1.163 1 2
CH3N3 methyl azide 1.527 1 2
CH3NO2 Methane, nitro- 1.532 1 2
HOCH2CN cyanomethanol 1.185 2 7
NH2COOH Carbamic acid 1.371 1 3
CH3NCO methylisocyante 1.476 1 2
    1.225 2 3
NH2CH2CN Aminoacetonitrile 1.186 3 4
    1.498 1 2
NH2CCNH2 Diaminoacetylene 1.353 1 3
    1.353 2 4
NH2CONH2 Urea 1.406 1 3
    1.406 1 4
NH3COOH+ protonated Carbamic acid 1.615 1 3
NH2COOH2+ Carbamic acid, O-protonated 1.320 1 3
CH5N3 Guanidine 1.299 1 2
    1.420 1 3
    1.421 1 4
CH3CHNOH Acetaldoxime 1.305 2 3
HCONHCH3 N-methylformamide 1.382 1 3
    1.484 3 4
CH5N2O+ urea, N-protonated 1.727 1 3
    1.338 1 4
CH3C(OH)=NH Ethaninidic acid 1.287 1 3
H2NCOHNH2+ urea, protonated 1.340 1 3
    1.331 1 4
CH3CSNH2 Ethanethioamide 1.356 1 4
H2NCHCHNH2 diaminoethylene 1.444 1 3
    1.444 2 4
CH3NNCH3 (Z)-1,2-Dimethyldiazene 1.553 1 3
    1.553 2 4
CH6N3+ guanidinium 1.350 1 2
    1.350 1 3
    1.350 1 4
CH3NNCH3 (E)-1,2-Dimethyldiazene 1.527 1 3
    1.527 2 4
CH7N3 triaminomethane 1.493 1 3
    1.493 1 4
    1.493 1 5
HOCH2CH2NH2 monoethanolamine 1.511 1 2
C2H8N2 Ethylenediamine 1.502 1 3
    1.502 2 4
NH2CH2CH2CH3 1-Propanamine 1.504 3 4
C3H7NH3+ n-propylamine, protonated 1.577 3 4
C3H2N2 Malononitrile 1.185 2 6
    1.185 3 7
CH2N4 1H-Tetrazole 1.376 1 2
    1.344 1 5
C2H2N2O Furazan 1.344 2 4
    1.344 3 5
C3H3N2- imidizolyl anion 1.389 1 2
    1.389 1 3
    1.417 2 4
    1.417 3 5
C3H3N2 imidazolyl radical 1.422 1 2
    1.422 1 3
    1.325 2 4
    1.325 3 5
C3H3NO Oxazole 1.317 2 3
    1.451 3 4
C3H3NS Thiazole 1.309 2 4
    1.432 4 5
C3H4N2 1H-Imidazole 1.345 2 4
    1.429 4 5
    1.400 1 2
    1.412 1 3
C3H4N2 4H-Imidazole 1.307 2 3
    1.534 3 4
    1.510 1 2
    1.317 1 5
C3H4N2 2H-Imidazole 1.378 1 2
    1.378 1 3
    1.274 2 4
    1.274 3 5
C4H4N- pyrrolide anion 1.405 1 2
    1.405 1 3
C4H5N Pyrrole 1.405 1 3
    1.405 1 4
H2NCH2COOH Glycine 1.489 4 5
CH3OCH2CN Methoxyacetonitrile 1.185 4 5
C4H6N+ pyrrole, protonated 1.542 1 2
    1.542 1 3
C4H6N+ pyrrole, beta-protonated 1.318 1 2
    1.482 1 3
C4H6N+ pyrrole, alpha-protonated 1.519 1 2
    1.321 1 3
CH3CH(CH3)CN Propanenitrile, 2-methyl- 1.186 1 2
CH3CH2CH2CN Butanenitrile 1.185 1 2
C3H7NO dimethylformamide 1.384 1 3
    1.482 3 4
    1.477 3 5
C(NH2)H2CH2CH2CH3 1-Butanamine 1.505 1 2
NH(C2H5)2 diethylamine 1.500 1 2
    1.500 1 3
NC4H12+ tetramethyl ammonium cation 1.542 1 2
    1.542 1 3
    1.542 1 4
    1.542 1 5
C2H2N4 sym-tetrazine 1.373 1 3
    1.373 2 5
    1.373 2 6
C4H2N2 Fumaronitrile 1.188 3 5
    1.188 4 6
C4H4N2 Pyrazine 1.373 1 3
    1.373 1 4
    1.373 2 5
    1.373 2 6
C5H6N+ Pyridinium 1.375 1 2
    1.375 1 3
C4H7NO Ethoxyacetonitrile 1.184 5 6
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1.398 1 3
    1.398 1 4
    1.480 3 5
    1.480 4 6
CH(CN)3 tricyanomethane 1.187 3 6
    1.187 4 7
    1.187 5 8
C6H15N triethylamine 1.508 1 2
    1.508 1 3
    1.508 1 4
C6H5NO nitrosobenzene 1.497 1 7
C6H12N2 Triethylenediamine 1.515 1 3
    1.515 1 4
    1.515 1 5
    1.515 2 6
    1.515 2 7
    1.515 2 8
C(CN)4 tetracyanomethane 1.190 2 6
    1.190 3 7
    1.190 4 8
    1.190 5 9
C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- 1.357 1 5
    1.357 1 6
    1.357 2 4
    1.357 2 6
    1.357 3 4
    1.357 3 5
C3H3N3O3 cyanuric acid 1.412 1 4
    1.412 1 6
    1.412 2 4
    1.412 2 5
    1.412 3 5
    1.412 3 6
C6N4 Tetracyanoethylene 1.191 3 7
    1.191 4 8
    1.191 5 9
    1.191 6 10