National Institute of Standards and Technology

Computational Chemistry Comparison and Benchmark DataBase
Release 22	May 2022
NIST Standard Reference Database 101

I	Introduction
II	Experimental data
III	Calculated data
IV	Data comparisons
V	Cost comparisons
VI	Input and output files
VII	Tutorials and Units
VIII	Links to other sites
IX	Feedback
X	Older CCCBDB versions
XII	Geometries
XIII	Vibrations
XIV	Reaction data
XV	Entropy data
XVI	Bibliographic data
XVII	Ion data
XVIII	Bad calculations
XIX	Index of properties
XX	H-bond dimers
XXI	Oddities

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II.B.3. (XII.A.3.)

List of experimental bond lengths for bond type rNO

Bond lengths in Å.
Click on an entry for more experimental geometry data.

bond type	Species	Name	Length	Comment
rNO	N2O	Nitrous oxide	1.184
rNO	C2H5NO3	Nitric acid, ethyl ester	1.215
rNO	C2H5NO3	Nitric acid, ethyl ester	1.215
rNO	NO3	Nitrogen trioxide	1.238	from B0
rNO	C2H2N2O	Furazan	1.373
rNO	CH3ONO	Methyl nitrite	1.398	rs value, cis structure
rNO	C3H3NO	Isoxazole	1.399
rNO	CH3NO3	Methyl nitrate	1.402	from O with C
rNO	C4H5NO	3-Methylisoxazole	1.403	!assumed
rNO	C4H5NO	Isoxazole, 5-methyl-	1.403	!assumed
rNO	HNO3	Nitric acid	1.406	in NOH
rNO	C2H5NO3	Nitric acid, ethyl ester	1.407
rNO	CH2NOH	formaldoxime	1.408
rNO	CH3CHNOH	Acetaldoxime	1.408	!assumed
rNO	HNO2	Nitrous acid	1.442
rNO	NH2OH	hydroxylamine	1.453
rNO	FNO3	Fluorine nitrate	1.507
Average			1.368	±0.094
Min			1.184
Max			1.507