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Geometry for CH5N3 (Guanidine) 1A C1

1910171554
InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4) INChIKey=ZRALSGWEFCBTJO-UHFFFAOYSA-N

HF/CEP-121G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0172 0.1196 0.0004   0.0292 0.1173 -0.0000
N2 -0.2236 1.3926 0.0112   0.3187 1.3740 0.0064
N3 -0.9859 -0.8841 0.0218   -1.2470 -0.4463 0.0129
N4 1.2826 -0.3690 -0.0397   1.0486 -0.8261 -0.0255
H5 -1.1899 1.6699 -0.0530   -0.4707 1.9952 -0.0686
H6 -1.9438 -0.6388 0.1030   -2.0420 0.1429 0.0835
H7 -0.7691 -1.7944 -0.3095   -1.3868 -1.3730 -0.3145
H8 1.9992 0.3183 -0.0624   1.9718 -0.4604 -0.0417
H9 1.4954 -1.2497 0.3668   0.9095 -1.7197 0.3848
Atom - Atom Distances (Å)
  C1 N2 N3 N4 H5 H6 H7 H8 H9
C1 1.2897 1.3952 1.3892 1.9445 2.0730 2.0796 2.0271 2.0730
N2 1.2897 2.4011 2.3182 1.0073 2.6635 3.2493 2.4699 3.1723
N3 1.3952 2.4011 2.3271 2.5632 0.9921 0.9927 3.2193 2.5318
N4 1.3892 2.3182 2.3271 3.2047 3.2408 2.5127 0.9931 0.9931
H5 1.9445 1.0073 2.5632 3.2047 2.4336 3.4992 3.4636 3.9888
H6 2.0730 2.6635 0.9921 3.2408 2.4336 1.6987 4.0608 3.5030
H7 2.0796 3.2493 0.9927 2.5127 3.4992 1.6987 3.4911 2.4253
H8 2.0271 2.4699 3.2193 0.9931 3.4636 4.0608 3.4911 1.7019
H9 2.0730 3.1723 2.5318 0.9931 3.9888 3.5030 2.4253 1.7019
Maximum atom distance is 4.0608Å between atoms H6 and H8.
picture of Guanidine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 N3 126.795 N2 C1 N4 119.809
N3 C1 N4 113.395
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H5 115.126 C1 N3 H6 119.583
C1 N3 H7 120.194 C1 N4 H8 115.622
C1 N4 H9 120.043 H6 N3 H7 117.714
H8 N4 H9 117.928

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.