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.4. (XII.A.4.)

List of experimental bond angles of type aHNC

Bond angles in degrees.
Click on an entry for more experimental geometry data.

Bond type	Species	Name	Angle	Comment
aHNC	C4H9N	Pyrrolidine	107.00	!assumed
aHNC	CH3NHCH3	Dimethylamine	108.90
aHNC	C2H5N	Aziridine	109.31
aHNC	C(CH3)3NH2	2-Propanamine, 2-methyl-	109.90
aHN=C	CH2NH	Methanimine	110.50
aHNC	CH3NH2	methyl amine	111.00
aHNC	CH3CH2NH2	Ethylamine	111.10
aHNC	NH2CONH2	Urea	112.78
aHNC	H2NCH2COOH	Glycine	113.27	!assumed
aHNC	CH3CSNH2	Ethanethioamide	114.40
aHNC	C6H5NH2	aniline	114.92	from symmetry and NH2 out of plane angle of 39.4
aHNC	CHSNH2	thioformamide	117.90
aHNC	CHONH2	formamide	118.50	cis H
aHN=C	HNCNH	diiminomethane	118.63
aHNC	NH2CONH2	Urea	119.21	pointing away from O
aHNC	CHONH2	formamide	120.00	trans
aHNC	CHSNH2	thioformamide	120.40
aHN=C	HNCO	Isocyanic acid	123.90
aHNC	CH3CSNH2	Ethanethioamide	124.00
aHNC	C4H5N	Pyrrole	125.10	by symmetry
aHN=C	HNCS	Isothiocyanic acid	131.70
aHN#C	HNC	hydrogen isocyanide	180.00
Average			119.20	±14.96
Min			107.00
Max			180.00