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Compare Calculated Bonds for C-N

17 01 10 14 40

CCSD/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
1.320 0.129

  Species Name Bond Length (Å)
Lowest value C2H5NH+ Protonated Aziridine 1.015
Highest value CHNCH2 2H-Azirine 1.562

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CN- cyanide anion 1.180 1 2
CN Cyano radical 1.172 1 2
HCN Hydrogen cyanide 1.154 1 3
HCN+ hydrogen cyanide cation 1.216 1 3
HNC hydrogen isocyanide 1.170 1 2
HNC+ hydrogen isocyanide cation 1.139 1 2
CH2NH Methanimine 1.273 1 2
CH2NH+ Methanimine cation 1.236 1 2
CHNH2 aminomethylene 1.316 1 2
CH2NH2+ methyleneamine cation 1.276 1 2
CH3NH2 methyl amine 1.466 1 2
CH3NH2+ methyl amine cation 1.432 1 2
CH3NH3 methyl ammonium radical 1.504 1 2
LiCN lithium cyanide 1.183 2 3
CNN Diazocarbene 1.230 1 2
NaCN Sodium Cyanide 1.182 1 2
AlCN Aluminum monocyanide 1.168 2 3
AlNC Aluminum isocyanide 1.184 2 3
KCN Potassium cyanide 1.181 2 3
ZnCN Zinc monocyanide 1.165 2 3
ZnNC Zinc isocyanide 1.180 2 3
NCO isocyanato radical 1.228 1 2
FCN Cyanogen fluoride 1.157 1 3
CNF iso cyanogen fluoride 1.176 1 2
ClCN chlorocyanogen 1.158 2 3
BrCN Cyanogen bromide 1.160 1 2
HCNO fulminic acid 1.157 2 3
HSCN thiocyanic acid 1.162 2 3
HNCS Isothiocyanic acid 1.199 1 2
HNCNH diiminomethane 1.225 1 2
    1.225 1 3
CH3CN- acetonitrile anion 1.230 2 3
CH3CN Acetonitrile 1.158 2 3
CHNCH2 2H-Azirine 1.259 1 2
    1.562 1 3
HCNCH2+ 2H-Azirine cation 1.211 1 2
    1.474 1 3
CHNHCH 1H-Azirine 1.517 1 2
    1.517 1 3
CH3NC methyl isocyanide 1.422 1 2
    1.170 2 3
NCNH3+ Cyanamide, protonated 1.156 1 2
    1.410 1 3
HNCNH2+ diiminomethane, protonated 1.149 1 2
    1.289 1 3
NH3CN+ cyanamide, amine protonated 1.410 1 2
    1.156 1 3
H2CCNH Ethenimine 1.229 2 3
HCCNH2 Ethynamine 1.365 2 3
NH2CNH+ cyanamide, cn protonated 1.148 1 2
    1.288 1 3
H2CNCH methyleneaminomethylene 1.274 1 2
    1.226 2 3
CHONH2 formamide 1.361 1 3
CH2NOH formaldoxime 1.273 1 2
CH3NO nitrosomethane 1.486 1 2
CNOH3 1,2-oxaziridine 1.435 1 2
HOCHNH hydroxymethylimine 1.261 1 3
CHSNH2 thioformamide 1.339 1 3
NHCHSH Methanimidothioic acid 1.269 1 2
NH2CHOH+ Formamide, O-protonated 1.295 1 3
NH2CH2OH aminomethanol 1.443 1 2
C2H5NH+ Protonated Aziridine 1.015 1 2
    1.015 1 3
C2H6N+ aziridine, protonated 1.495 1 2
    1.495 1 3
CH3CH2NH2 Ethylamine 1.466 1 2
CH3NHCH3 Dimethylamine 1.454 1 3
    1.454 1 4
(CH3)2NH2+ dimethylammonium cation 1.500 1 2
    1.500 1 3
CH3CH2NH3+ ethylamine, protonated 1.518 1 2
C2N2 Cyanogen 1.159 1 3
    1.159 2 4
HCCCN Cyanoacetylene 1.158 1 2
HNCCNH Ethenediimine 1.248 1 3
    1.248 2 4
H2CNCN cyanamide, methylene 1.162 3 4
    1.278 1 2
    1.358 2 3
C3H3N acrylonitrile 1.158 1 2
CH3N3 methyl azide 1.474 1 2
CH3NO2 Methane, nitro- 1.491 1 2
HOCH2CN cyanomethanol 1.158 2 7
CH3NCO methylisocyante 1.443 1 2
    1.201 2 3
C2H3NO Nitrosoethylene 1.439 2 3
NH2CH2CN Aminoacetonitrile 1.159 3 4
    1.457 1 2
NH2CCNH2 Diaminoacetylene 1.361 1 3
    1.361 2 4
CH3NHN2+ methyl azide, protonated 1.489 1 2
NH2CONH2 Urea 1.384 1 3
    1.384 1 4
NH3COOH+ protonated Carbamic acid 1.522 1 3
NH2COOH2+ Carbamic acid, O-protonated 1.306 1 3
C2H5CN ethyl cyanide 1.158 3 4
CH3CONH2 Acetamide 1.368 2 3
CH3CHNOH Acetaldoxime 1.272 2 3
HCONHCH3 N-methylformamide 1.351 1 3
    1.452 3 4
CH5N2O+ urea, N-protonated 1.557 1 3
    1.331 1 4
CH3C(OH)=NH Ethaninidic acid 1.268 1 3
H2NCOHNH2+ urea, protonated 1.321 1 3
    1.315 1 4
CH3CSNH2 Ethanethioamide 1.343 1 4
H2NCHCHNH2 diaminoethylene 1.420 1 3
    1.420 2 4
C3H7N Cyclopropylamine 1.438 1 3
CH7N3 triaminomethane 1.457 1 3
    1.457 1 4
    1.457 1 5
CH3CH(NH2)CH3 2-Propanamine 1.464 1 2
N(CH3)3 Trimethylamine 1.450 1 2
    1.450 1 3
    1.450 1 4
NH2CH2CH2CH3 1-Propanamine 1.463 3 4
C3H7NH3+ n-propylamine, protonated 1.518 3 4
(CH3)3NH+ protonated trimethyl amine 1.021 1 2
    1.496 1 3
    1.496 1 4
C2H2N2O Furazan 1.302 2 4
    1.302 3 5
C3H3NO Isoxazole 1.307 2 4
C3H3NS Thiazole 1.298 2 4
    1.381 4 5
C3H4N2 1H-Imidazole 1.310 2 4
    1.382 4 5
    1.360 1 2
    1.378 1 3
C3H4N2 4H-Imidazole 1.280 2 3
    1.460 3 4
    1.435 1 2
    1.285 1 5
C3H4N2 2H-Imidazole 1.360 1 2
    1.360 1 3
    1.253 2 4
    1.253 3 5
C4H5N Pyrrole 1.371 1 3
    1.371 1 4
CH3OCH2CN Methoxyacetonitrile 1.158 4 5
C4H6N+ pyrrole, protonated 1.479 1 2
    1.479 1 3
C4H6N+ pyrrole, beta-protonated 1.292 1 2
    1.435 1 3
C4H6N+ pyrrole, alpha-protonated 1.460 1 2
    1.298 1 3
NH(C2H5)2 diethylamine 1.458 1 2
    1.458 1 3
C2H4N2S2 Ethanedithioamide 1.325 1 5
    1.325 2 6
C5H6N+ Pyridinium 1.346 1 2
    1.346 1 3
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1.383 1 3
    1.383 1 4
    1.454 3 5
    1.454 4 6
CH(CN)3 tricyanomethane 1.157 3 6
    1.157 4 7
    1.157 5 8
HN=C=C(CN)2 Dicyanoketenimine 1.205 2 3
    1.159 4 6
    1.159 5 7
C5H9NO2 Proline 1.453 1 5
    1.461 4 5