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Geometry for C4H4N (pyrrolide radical) 2A2 C2V

1910171554
InChI=1S/C4H4N/c1-2-4-5-3-1/h1-4H INChIKey=RRIPJBIUAZFPTE-UHFFFAOYSA-N

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Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 1.2594   1.2594 0.0000 0.0000
C2 0.0000 1.0503 0.4160   0.4160 1.0503 0.0000
C3 0.0000 -1.0503 0.4160   0.4160 -1.0503 0.0000
C4 0.0000 0.6834 -0.9807   -0.9807 0.6834 0.0000
C5 0.0000 -0.6834 -0.9807   -0.9807 -0.6834 0.0000
H6 0.0000 2.0575 0.8181   0.8181 2.0575 0.0000
H7 0.0000 -2.0575 0.8181   0.8181 -2.0575 0.0000
H8 0.0000 1.3433 -1.8374   -1.8374 1.3433 0.0000
H9 0.0000 -1.3433 -1.8374   -1.8374 -1.3433 0.0000
Atom - Atom Distances (Å)
  N1 C2 C3 C4 C5 H6 H7 H8 H9
N1 1.3470 1.3470 2.3421 2.3421 2.1043 2.1043 3.3756 3.3756
C2 1.3470 2.1006 1.4441 2.2264 1.0846 3.1337 2.2724 3.2874
C3 1.3470 2.1006 2.2264 1.4441 3.1337 1.0846 3.2874 2.2724
C4 2.3421 1.4441 2.2264 1.3669 2.2636 3.2786 1.0813 2.2003
C5 2.3421 2.2264 1.4441 1.3669 3.2786 2.2636 2.2003 1.0813
H6 2.1043 1.0846 3.1337 2.2636 3.2786 4.1151 2.7500 4.3148
H7 2.1043 3.1337 1.0846 3.2786 2.2636 4.1151 4.3148 2.7500
H8 3.3756 2.2724 3.2874 1.0813 2.2003 2.7500 4.3148 2.6865
H9 3.3756 3.2874 2.2724 2.2003 1.0813 4.3148 2.7500 2.6865
Maximum atom distance is 4.3148Å between atoms H6 and H9.
picture of pyrrolide radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 C4 114.049 N1 C3 C5 114.049
C2 N1 C3 102.470 C2 C4 C5 104.716
C3 C5 C4 104.716
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H6 119.469 N1 C3 H7 119.469
C2 C4 H8 127.681 C3 C5 H9 127.681
C4 C2 H6 126.482 C4 C5 H9 127.603
C5 C3 H7 126.482 C5 C4 H8 127.603

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