CCCBDB Experimental bond lengths 3

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bond type	Species	Name	Length	Comment
rC#N	C₄N₂	2-Butynedinitrile	1.140
rC#N	ZnCN	Zinc monocyanide	1.142
rC#N	C₂H₅CN	ethyl cyanide	1.153
rC#N	CF₃CN	Acetonitrile, trifluoro-	1.154
rC#N	C₂N₂	Cyanogen	1.154
rC#N	HCN	Hydrogen cyanide	1.156
rC#N	C₅H₇N	Cyclobutanecarbonitrile	1.156
rC#N	C₄H₅N	Cyclopropanecarbonitrile	1.157
rC#N	CH₃CN	Acetonitrile	1.157
rC#N	CH(CN)₃	tricyanomethane	1.158
rC#N	BrCN	Cyanogen bromide	1.158
rC#N	C₆H₅CN	phenyl cyanide	1.158
rC#N	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	1.159	!assumed
rC#N	C₅H₉N	Pentanenitrile	1.159
rC#N	C₅H₉N	Propanenitrile, 2,2-dimethyl-	1.159
rC#N	FCN	Cyanogen fluoride	1.159
rC#N	NH₂CN	cyanamide	1.159
rC#N	C₃H₂N₂	Malononitrile	1.160
rC#N	ICN	Cyanogen iodide	1.160	re
rC#N	HCCCN	Cyanoacetylene	1.161
rC#N	ClCN	chlorocyanogen	1.161	re value
rC#N	C(CN)₄	tetracyanomethane	1.161
rC#N	C₄H₄N₂	Succinonitrile	1.161
rC#N	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	1.162	!assumed
rC#N	C₃H₃N	acrylonitrile	1.164
rC#N	C₄H₅N	(E)-2-Butenenitrile	1.164	!assumed
rC#N	CH₃NC	methyl isocyanide	1.166	from CD3NC
rC#N	HCNO	fulminic acid	1.168
rC#N	CN	Cyano radical	1.172	re
rC#N	HNC	hydrogen isocyanide	1.173
rC#N	CN^-	cyanide anion	1.177	re
rC=N	HNCS	Isothiocyanic acid	1.207
rC=N	CH₃SO₂NH₂	methanesulfonamide	1.207
rC=N	HNCO	Isocyanic acid	1.214
rC=N	HNCNH	diiminomethane	1.224	rs
rC=N	CH₂NH	Methanimine	1.273
rC=N	CH₃CHNOH	Acetaldoxime	1.276	!assumed
rC=N	CH₂NOH	formaldoxime	1.276
rC=N	C₃H₃NO	Oxazole	1.292
rC=N	CH₂NN	diazomethane	1.300	rs
rC=N	C₂H₂N₂S	1,3,4-Thiadiazole	1.303
rC=N	C₂H₄O₃	trioxolane124	1.303
rC=N	C₂H₂N₂O	Furazan	1.303
rC=N	C₂H₃N₃	1H-1,2,4-Triazole	1.305	dependent, single N to side with a NH
rC=N	C₃H₃NO	Isoxazole	1.309
rC=N	C₄H₅NO	Isoxazole, 5-methyl-	1.310	!assumed
rC=N	C₄H₅NO	3-Methylisoxazole	1.310	!assumed
rC=N	C₃H₄N₂	1H-Imidazole	1.314
rC:N	C₄H₄N₂	1,3-Diazine	1.328	to C inbetween
rC=N	C₂H₃N₃	1H-1,2,4-Triazole	1.329	N has no H
rC=N	C₃H₄N₂	1H-Pyrazole	1.332
rC:N	C₄H₄N₂	Pyrazine	1.338
rC=N	C₃H₃N₃	1,3,5-Triazine	1.338
rC:N	C₅H₅N	Pyridine	1.340
rC:N	C₄H₄N₂	Pyridazine	1.341
rCN	NH₂CN	cyanamide	1.347
rCN	C₂H₃N₃	1H-1,2,4-Triazole	1.348	side where N has no H
rC:N	C₄H₄N₂	1,3-Diazine	1.350	from 3C side
rCN	CHONH₂	formamide	1.350
rCN	CH₃CSNH₂	Ethanethioamide	1.356
rCN	C₄H₄N₂O₂	Uracil	1.358
rCN	CHSNH₂	thioformamide	1.358
rCN	C₃H₄N₂	1H-Pyrazole	1.360
rCN	C₃H₄N₂	1H-Imidazole	1.364	to C inbetween 2 N
rCN	HCONHCH₃	N-methylformamide	1.366
rCN	C₄H₅N	Pyrrole	1.370
rCN	C₄H₄N₂O₂	Uracil	1.371
rCN	C₄H₄N₂O₂	Uracil	1.371
rCN	C₄H₄N₂O₂	Uracil	1.376
rCN	C₂H₃N₃	1H-1,2,4-Triazole	1.377	both have H
rCN	C₃H₄N₂	1H-Imidazole	1.377	from =C to N with H
rCN	NH₂CONH₂	Urea	1.378
rCN	CH₃CONH₂	Acetamide	1.380
rCN	C₃H₄N₂	1H-Imidazole	1.382	from N w/o H
rCN	C₃H₇NO	dimethylformamide	1.391
rCN	C₃H₃NO	Oxazole	1.395
rCN	CH₃NC	methyl isocyanide	1.426	from CD3NC
rCN	C₃H₇N	Cyclopropylamine	1.428
rCN	C₆H₅NH₂	aniline	1.431
rCN	C₂H₃NO	Nitrosoethylene	1.439
rCN	CH₂NCH₃	N-methylmethanimine	1.440	assumed
rCN	N(CH₃)₃	Trimethylamine	1.451
rCN	C₃H₇NO	dimethylformamide	1.453
rCN	HCONHCH₃	N-methylformamide	1.459
rCN	C₂H₆N₂O₂	Dimethylnitroamine	1.460
rCN	CH₃NHCH₃	Dimethylamine	1.462
rCN	C₄H₉N	Pyrrolidine	1.469
rCN	C₂H₈N₂	Ethylenediamine	1.469
rCN	H₂NCH₂COOH	Glycine	1.469
rCN	CH₃CH(NH₂)COOH	Alanine	1.471
rCN	CH₃NH₂	methyl amine	1.471	r0
rCN	C₅H₁₁N	Piperidine	1.472
rCN	C₃H₇N	Azetidine	1.473
rCN	C₂H₅N	Aziridine	1.475
rCN	CH₃CH₂NH₂	Ethylamine	1.475
rCN	CH₂N₂	diazirine	1.482
rCN	CH₃NO	nitrosomethane	1.482
rCN	C₆H₅NO₂	Nitrobenzene	1.486
rCN	CH₃NO₂	Methane, nitro-	1.489
rCN	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	1.492

Average			1.309	±1.321
Min			1.140
Max			1.492

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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List of experimental bond lengths for bond type rCN