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Compare Calculated Bonds for N-C

17 01 10 14 40

LSDA/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
1.332 0.106

  Species Name Bond Length (Å)
Lowest value C2H5NH+ Protonated Aziridine 1.029
Highest value CH5N2O+ urea, N-protonated 1.568

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CN- cyanide anion 1.188 1 2
CN Cyano radical 1.178 1 2
CN+ Cyano cation 1.183 1 2
HCN Hydrogen cyanide 1.162 1 3
HCN+ hydrogen cyanide cation 1.224 1 3
HNC hydrogen isocyanide 1.181 1 2
H2CN Dihydrogen cyanide radical 1.241 1 2
H2CN+ hydrocyanonium cation 1.200 1 2
CNH2 Aminomethylidyne radical 1.289 1 2
CNH2+ N-protonated hydrogen isocyanide 1.247 1 2
HCNH methyleneazane 1.236 1 2
HCNH+ N-protonated HCN 1.144 1 2
CH2NH Methanimine 1.268 1 2
CH2NH2+ methyleneamine cation 1.275 1 2
CH3NH2+ methyl amine cation 1.382 1 2
CH3NH3 methyl ammonium radical 1.491 1 2
CH3NH3+ protonated methylamine 1.487 1 2
NCN Cyanoimidogen 1.235 1 2
    1.235 1 3
LiCN lithium cyanide 1.186 2 3
CN2 3H-Diazirin-3-ylidene 1.396 1 2
    1.396 1 3
NaCN Sodium Cyanide 1.187 1 2
KCN Potassium cyanide 1.185 2 3
ZnCN Zinc monocyanide 1.171 2 3
ZnNC Zinc isocyanide 1.188 2 3
NCO- cyanate 1.202 1 2
NCO isocyanato radical 1.230 1 2
CNO- fulminate 1.203 1 2
SCN- thiocyanide anion 1.188 1 3
SCN thiocyanato radical 1.194 1 3
FCN Cyanogen fluoride 1.169 1 3
CNF iso cyanogen fluoride 1.192 1 2
ClCN chlorocyanogen 1.171 2 3
BrCN Cyanogen bromide 1.171 1 2
HCCN cyanomethylene 1.213 2 3
HOCN cyanic acid 1.172 1 2
HCNO fulminic acid 1.173 2 3
HNCNH diiminomethane 1.227 1 2
    1.227 1 3
NH2CN cyanamide 1.173 1 2
    1.329 1 3
CH3CN Acetonitrile 1.166 2 3
CHNCH2 2H-Azirine 1.262 1 2
    1.555 1 3
CHNHCH 1H-Azirine 1.507 1 2
    1.507 1 3
CH3NC methyl isocyanide 1.397 1 2
    1.182 2 3
NCNH3+ Cyanamide, protonated 1.164 1 2
    1.395 1 3
HNCNH2+ diiminomethane, protonated 1.171 1 2
    1.277 1 3
H2CCNH Ethenimine 1.227 2 3
HCCNH2 Ethynamine 1.338 2 3
H2CNCH methyleneaminomethylene 1.279 1 2
    1.217 2 3
CHONH2 formamide 1.351 1 3
CH2NOH formaldoxime 1.275 1 2
CH3NO nitrosomethane 1.462 1 2
CNOH3 1,2-oxaziridine 1.435 1 2
HOCHNH hydroxymethylimine 1.267 1 3
CH3CHN methylmethaniminyl radical 1.247 1 3
CH2CHNH vinylazine 1.311 1 3
H2CONH2+ protonated formamide 1.299 1 3
CH2CHNH2 aminoethene 1.374 2 3
CH2NCH3 N-methylmethanimine 1.428 1 2
    1.266 2 3
CH3CHNH ethanimine 1.273 2 3
NH2CH2NH2 diaminomethane 1.444 1 2
    1.444 1 3
C2H5NH+ Protonated Aziridine 1.029 1 2
    1.029 1 3
C2H6N+ aziridine, protonated 1.481 1 2
    1.481 1 3
(CH3)2NH2+ dimethylammonium cation 1.482 1 2
    1.482 1 3
CH3CH2NH3+ ethylamine, protonated 1.501 1 2
C2N2 Cyanogen 1.171 1 3
    1.171 2 4
HCCCN Cyanoacetylene 1.174 1 2
C3H3N+ acrylonitrile cation 1.190 1 2
CH3N3 methyl azide 1.445 1 2
NH2COOH Carbamic acid 1.350 1 3
NH2CH2CN Aminoacetonitrile 1.168 3 4
    1.442 1 2
NH2CCNH2 Diaminoacetylene 1.346 1 3
    1.346 2 4
CH3NHN2+ methyl azide, protonated 1.473 1 2
NH2CONH2 Urea 1.377 1 3
    1.377 1 4
NH3COOH+ protonated Carbamic acid 1.525 1 3
NH2COOH2+ Carbamic acid, O-protonated 1.310 1 3
CH5N3 Guanidine 1.282 1 2
    1.385 1 3
    1.382 1 4
CH3CHNOH Acetaldoxime 1.281 2 3
HCONHCH3 N-methylformamide 1.348 1 3
    1.438 3 4
CH5N2O+ urea, N-protonated 1.568 1 3
    1.325 1 4
H2NCOHNH2+ urea, protonated 1.324 1 3
    1.317 1 4
CH3NNCH3 (Z)-1,2-Dimethyldiazene 1.454 1 3
    1.454 2 4
CH6N3+ guanidinium 1.330 1 2
    1.330 1 3
    1.330 1 4
CH3NNCH3 (E)-1,2-Dimethyldiazene 1.441 1 3
    1.441 2 4
C3H7N Cyclopropylamine 1.424 1 3
CH7N3 triaminomethane 1.443 1 3
    1.443 1 4
    1.443 1 5
HOCH2CH2NH2 monoethanolamine 1.452 1 2
CH3NHNHCH3 dimethyl hydrazine 1.441 1 3
    1.441 2 4
NH2CH2CH2CH3 1-Propanamine 1.444 3 4
C3H7NH3+ n-propylamine, protonated 1.499 3 4
(CH3)3NH+ protonated trimethyl amine 1.036 1 2
    1.480 1 3
    1.480 1 4
CH2N4 1H-Tetrazole 1.341 1 2
    1.316 1 5
C3H3N2- imidizolyl anion 1.346 1 2
    1.346 1 3
    1.363 2 4
    1.363 3 5
C3H3N2 imidazolyl radical 1.366 1 2
    1.366 1 3
    1.318 2 4
    1.318 3 5
C3H3NO Oxazole 1.293 2 3
    1.379 3 4
C3H4N2 1H-Imidazole 1.313 2 4
    1.365 4 5
    1.359 1 2
    1.368 1 3
C3H4N2 4H-Imidazole 1.289 2 3
    1.436 3 4
    1.409 1 2
    1.293 1 5
C3H4N2 2H-Imidazole 1.347 1 2
    1.347 1 3
    1.259 2 4
    1.259 3 5
C4H4N- pyrrolide anion 1.356 1 2
    1.356 1 3
C4H4N pyrrolide radical 1.341 1 2
    1.341 1 3
C4H5N Pyrrole 1.365 1 3
    1.365 1 4
C4H5N (E)-2-Butenenitrile 1.171 9 10
C4H5N (Z)-2-Butenenitrile 1.171 1 2
C4H5N Cyclopropanecarbonitrile 1.169 7 8
CH3OCH2CN Methoxyacetonitrile 1.167 4 5
C4H6N+ pyrrole, protonated 1.463 1 2
    1.463 1 3
C4H6N+ pyrrole, beta-protonated 1.305 1 2
    1.404 1 3
C4H6N+ pyrrole, alpha-protonated 1.436 1 2
    1.311 1 3
C2H6N2O Urea, methyl- 1.429 1 6
    1.377 7 10
    1.367 6 7
CH3CH(CH3)CN Propanenitrile, 2-methyl- 1.167 1 2
CH3CH2CH2CN Butanenitrile 1.167 1 2
C4H9N Cyclobutylamine 1.443 1 10
NH(C2H5)2 diethylamine 1.438 1 2
    1.438 1 3
CH3C(NH2)HCH2CH3 2-Butanamine 1.448 1 8
NC4H12+ tetramethyl ammonium cation 1.482 1 2
    1.482 1 3
    1.482 1 4
    1.482 1 5
C4N2 2-Butynedinitrile 1.176 3 5
    1.176 4 6
C4H2N2 Fumaronitrile 1.171 3 5
    1.171 4 6
CH3N5 5-Aminotetrazole 1.346 1 3
    1.323 1 6
    1.358 1 9
C2H3NO3 Oxamic acid 1.328 2 6
C2H4N4 1H-Tetrazole, 5-methyl- 1.346 2 7
    1.321 1 2
C2H4N4 1H-Tetrazole, 1-methyl- 1.342 1 2
    1.317 1 5
    1.432 2 7
C2H4N4 2H-Tetrazole, 2-methyl- 1.329 2 3
    1.346 2 4
    1.430 6 10
C2H4N2O2 Oxalamide 1.336 1 5
    1.336 2 6
C2H4N2S2 Ethanedithioamide 1.322 1 5
    1.322 2 6
C5H5N Bicyclo[1.1.0]butane-1-carbonitrile 1.171 10 11
C4H5NO Isoxazole, 5-methyl- 1.313 7 8
C4H5NO 3-Methylisoxazole 1.318 7 8
C4H5NS 4-Methylthiazole 1.367 2 9
    1.298 3 9
C4H6N2 1H-Imidazole, 2-methyl- 1.318 7 8
    1.365 8 9
    1.364 5 7
    1.370 5 11
C5H6N+ Pyridinium 1.345 1 2
    1.345 1 3
C2H6N2O2 Dimethylnitroamine 1.429 6 12
    1.429 10 12
C2H6N2O2 (E)-Azodioxymethane 1.447 1 5
    1.447 2 6
CH6N4S Carbonothioic dihydrazide 1.350 1 3
    1.369 1 5
C5H7N Cyclobutanecarbonitrile 1.168 1 2
C5H7N (E)-3-Pentenenitrile 1.167 10 11
C5H7N (Z)-2-Pentenenitrile 1.171 1 2
C5H7N (E)-2-Pentenenitrile 1.171 1 2
C4H7NO 2-Pyrrolidinone 1.366 1 2
    1.437 1 5
C4H7NO Oxazole, 4,5-dihydro-2-methyl- 1.450 3 4
    1.275 4 6
C4H7NO Ethoxyacetonitrile 1.166 5 6
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1.372 1 3
    1.372 1 4
    1.430 3 5
    1.430 4 6
N(CH3)2CONH2 Urea, N,N-dimethyl- 1.371 3 4
    1.382 3 6
    1.430 4 10
    1.428 4 14
NH2CONHC2H5 Urea, ethyl- 1.435 5 8
    1.368 8 13
    1.377 10 13
C5H9N Propanenitrile, 2,2-dimethyl- 1.167 2 6
C5H9N 1,2,3,6-Tetrahydropyridine 1.447 10 15
    1.447 13 15
C5H9N Butanenitrile, 2-methyl- 1.167 1 2
C4H9NO Butanamide 1.356 11 14
C4H9NO Propanamide, 2-methyl- 1.354 10 13
C5H11N Cyclopentanamine 1.442 1 2
C4H11NO Diethylhydroxylamine 1.440 1 6
    1.440 1 7
C4H12N2 2-Methyl-1,2-propanediamine 1.453 1 7
    1.440 4 10
C4H12N2 1,2-Butanediamine 1.440 1 14
    1.452 8 17
C5H5NO 4-Pyridinol 1.332 1 2
    1.335 1 6
C5H5NO 3(2H)-Pyridinone 1.430 1 2
    1.283 1 6
C5H5NO 3(6H)-Pyridinone 1.279 1 2
    1.428 1 6
C5H5NO 3(4H)-Pyridinone 1.290 1 2
    1.387 1 6
C5H5NO 2(5H)-Pyridinone 1.418 1 2
    1.280 1 6
C5H5NO 2(3H)-Pyridinone 1.398 1 2
    1.294 1 6
C5H5NO 4(3H)-Pryidinone 1.286 1 2
    1.388 1 6
C5H5NO 4(1H)-Pryidinone 1.363 1 2
    1.363 1 6
C5H5NO 2(1H)-Pyridinone 1.406 1 2
    1.351 1 6
HO2CCHNH2CH2OH Serine 1.443 4 7
C6H15N triethylamine 1.446 1 2
    1.446 1 3
    1.446 1 4
C6H5NO nitrosobenzene 1.424 1 7
C8H6 benzocyclobutadiene 1.355 4 8
    1.504 5 8
    1.428 7 8
C5H9NO2 Proline 1.441 1 5
    1.449 4 5
C(CN)4 tetracyanomethane 1.165 2 6
    1.165 3 7
    1.165 4 8
    1.165 5 9
C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- 1.325 1 5
    1.325 1 6
    1.325 2 4
    1.325 2 6
    1.325 3 4
    1.325 3 5
C3H3N3O3 cyanuric acid 1.382 1 4
    1.382 1 6
    1.382 2 4
    1.382 2 5
    1.382 3 5
    1.382 3 6
C5H4N4 purine 1.379 8 9
    1.325 2 3
    1.356 4 9
    1.374 5 7
    1.307 7 8
    1.326 3 4
    1.348 1 2
    1.323 1 6
C6N4 Tetracyanoethylene 1.165 3 7
    1.165 4 8
    1.165 5 9
    1.165 6 10
C12H10N2 azobenzene 1.397 1 3
    1.397 2 4