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Geometry for C2H5CN (ethyl cyanide) 1A' Cs

1910171554
InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3 INChIKey=FVSKHRXBFJPNKK-UHFFFAOYSA-N

BLYP/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.5571 0.5967 0.0000   -1.5998 0.4703 0.0000
C2 0.0000 0.8440 0.0000   -0.5121 -0.6709 0.0000
C3 -0.7864 -0.4500 0.0000   0.8982 -0.1194 0.0000
N4 -1.4060 -1.4918 0.0000   2.0227 0.3329 0.0000
H5 2.0827 1.5729 0.0000   -2.6098 0.0132 0.0000
H6 1.8597 0.0273 0.9011   -1.4949 1.1066 0.9011
H7 1.8597 0.0273 -0.9011   -1.4949 1.1066 -0.9011
H8 -0.2922 1.4351 0.9000   -0.6384 -1.3181 0.9000
H9 -0.2922 1.4351 -0.9000   -0.6384 -1.3181 -0.9000
Atom - Atom Distances (Å)
  C1 C2 C3 N4 H5 H6 H7 H8 H9
C1 1.5766 2.5667 3.6252 1.1086 1.1080 1.1080 2.2210 2.2210
C2 1.5766 1.5142 2.7263 2.2065 2.2220 2.2220 1.1157 1.1157
C3 2.5667 1.5142 1.2121 3.5105 2.8358 2.8358 2.1466 2.1466
N4 3.6252 2.7263 1.2121 4.6435 3.7127 3.7127 3.2584 3.2584
H5 1.1086 2.2065 3.5105 4.6435 1.8028 1.8028 2.5434 2.5434
H6 1.1080 2.2220 2.8358 3.7127 1.8028 1.8022 2.5715 3.1395
H7 1.1080 2.2220 2.8358 3.7127 1.8028 1.8022 3.1395 2.5715
H8 2.2210 1.1157 2.1466 3.2584 2.5434 2.5715 3.1395 1.8001
H9 2.2210 1.1157 2.1466 3.2584 2.5434 3.1395 2.5715 1.8001
Maximum atom distance is 4.6435Å between atoms N4 and H5.
picture of ethyl cyanide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 112.266 C2 C3 N4 179.448
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 109.983 C1 C2 H9 109.983
C2 C1 H5 109.275 C2 C1 H6 110.507
C2 C1 H7 110.507 C3 C2 H8 108.463
C3 C2 H9 108.463 H5 C1 H6 108.845
H5 C1 H7 108.845 H6 C1 H7 108.825
H8 C2 H9 107.548

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