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Geometry for ((Z)-2-Butenenitrile) 1A' CS

1910171554
InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2- INChIKey=NKKMVIVFRUYPLQ-IHWYPQMZSA-N

PBEPBE_cp/3-21G


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
C1 -1.2145 0.2578 0.0000
N2 -2.2219 -0.3591 0.0000
C3 0.0000 0.9991 0.0000
H4 -0.0980 2.0899 0.0000
C5 1.2237 0.4204 0.0000
H6 2.1044 1.0734 0.0000
C7 1.4732 -1.0632 0.0000
H8 0.5255 -1.6265 0.0000
H9 2.0633 -1.3542 0.8900
H10 2.0633 -1.3542 -0.8900
Atom - Atom Distances (Å)
  C1 N2 C3 H4 C5 H6 C7 H8 H9 H10
C1 1.1813 1.4228 2.1454 2.4435 3.4176 2.9947 2.5648 3.7596 3.7596
N2 1.1813 2.6041 3.2416 3.5326 4.5573 3.7615 3.0257 4.4883 4.4883
C3 1.4228 2.6041 1.0952 1.3536 2.1058 2.5344 2.6777 3.2538 3.2538
H4 2.1454 3.2416 1.0952 2.1293 2.4257 3.5228 3.7684 4.1623 4.1623
C5 2.4435 3.5326 1.3536 2.1293 1.0964 1.5044 2.1627 2.1555 2.1555
H6 3.4176 4.5573 2.1058 2.4257 1.0964 2.2278 3.1277 2.5859 2.5859
C7 2.9947 3.7615 2.5344 3.5228 1.5044 2.2278 1.1025 1.1068 1.1068
H8 2.5648 3.0257 2.6777 3.7684 2.1627 3.1277 1.1025 1.7975 1.7975
H9 3.7596 4.4883 3.2538 4.1623 2.1555 2.5859 1.1068 1.7975 1.7799
H10 3.7596 4.4883 3.2538 4.1623 2.1555 2.5859 1.1068 1.7975 1.7799
Maximum atom distance is 4.5573Å between atoms N2 and H6.
picture of (Z)-2-Butenenitrile
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

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