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Geometry for C4H9N (Pyrrolidine) 1A' CS

1910171554
InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2 INChIKey=RWRDLPDLKQPQOW-UHFFFAOYSA-N

mPW1PW91/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.5413 -1.0967 0.0000   0.0959 0.5328 -1.0967
H2 0.5002 -2.1176 0.0000   0.0886 0.4923 -2.1176
C3 -0.1071 -0.4726 1.1720   1.1344 -0.3131 -0.4726
C4 -0.1071 -0.4726 -1.1720   -1.1724 0.1023 -0.4726
C5 -0.1071 1.0266 0.7818   0.7504 -0.2439 1.0266
C6 -0.1071 1.0266 -0.7818   -0.7884 0.0332 1.0266
H7 -1.1489 -0.8092 1.3222   1.0977 -1.3651 -0.8092
H8 -1.1489 -0.8092 -1.3222   -1.5049 -0.8964 -0.8092
H9 0.4646 -0.6682 2.0826   2.1319 0.0881 -0.6682
H10 0.4646 -0.6682 -2.0826   -1.9673 0.8263 -0.6682
H11 0.8007 1.5064 1.1536   1.2773 0.5835 1.5064
H12 0.8007 1.5064 -1.1536   -0.9935 0.9924 1.5064
H13 -0.9763 1.5444 1.1934   1.0015 -1.1724 1.5444
H14 -0.9763 1.5444 -1.1934   -1.3476 -0.7494 1.5444
Atom - Atom Distances (Å)
  N1 H2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14
N1 1.0217 1.4777 1.4777 2.3537 2.3537 2.1652 2.1652 2.1276 2.1276 2.8591 2.8591 3.2716 3.2716
H2 1.0217 2.1091 2.1091 3.2963 3.2963 2.4859 2.4859 2.5375 2.5375 3.8150 3.8150 4.1249 4.1249
C3 1.4777 2.1091 2.3439 1.5491 2.4626 1.1051 2.7239 1.0928 3.3101 2.1773 3.1857 2.1965 3.2278
C4 1.4777 2.1091 2.3439 2.4626 1.5491 2.7239 1.1051 3.3101 1.0928 3.1857 2.1773 3.2278 2.1965
C5 2.3537 3.2963 1.5491 2.4626 1.5636 2.1788 2.9803 2.2115 3.3769 1.0920 2.1909 1.0924 2.2193
C6 2.3537 3.2963 2.4626 1.5491 1.5636 2.9803 2.1788 3.3769 2.2115 2.1909 1.0920 2.2193 1.0924
H7 2.1652 2.4859 1.1051 2.7239 2.1788 2.9803 2.6444 1.7892 3.7704 3.0317 3.9105 2.3634 3.4493
H8 2.1652 2.4859 2.7239 1.1051 2.9803 2.1788 2.6444 3.7704 1.7892 3.9105 3.0317 3.4493 2.3634
H9 2.1276 2.5375 1.0928 3.3101 2.2115 3.3769 1.7892 3.7704 4.1651 2.3884 3.9134 2.7861 4.2076
H10 2.1276 2.5375 3.3101 1.0928 3.3769 2.2115 3.7704 1.7892 4.1651 3.9134 2.3884 4.2076 2.7861
H11 2.8591 3.8150 2.1773 3.1857 1.0920 2.1909 3.0317 3.9105 2.3884 3.9134 2.3073 1.7778 2.9441
H12 2.8591 3.8150 3.1857 2.1773 2.1909 1.0920 3.9105 3.0317 3.9134 2.3884 2.3073 2.9441 1.7778
H13 3.2716 4.1249 2.1965 3.2278 1.0924 2.2193 2.3634 3.4493 2.7861 4.2076 1.7778 2.9441 2.3868
H14 3.2716 4.1249 3.2278 2.1965 2.2193 1.0924 3.4493 2.3634 4.2076 2.7861 2.9441 1.7778 2.3868
Maximum atom distance is 4.2076Å between atoms H9 and H14.
picture of Pyrrolidine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 C5 102.065 N1 C4 C6 102.065
C3 N1 C4 104.955 C3 C5 C6 104.589
C4 C6 C5 104.589
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H7 113.132 N1 C3 H9 110.839
N1 C4 H8 113.132 N1 C4 H10 110.839
H2 N1 C3 113.854 H2 N1 C4 113.854
C3 C5 H11 109.844 C3 C5 H13 111.339
C4 C6 H12 109.844 C4 C6 H14 111.339
C5 C3 H7 109.207 C5 C3 H9 112.526
C5 C6 H12 109.909 C5 C6 H14 112.138
C6 C4 H8 109.207 C6 C4 H10 112.526
C6 C5 H11 109.909 C6 C5 H13 112.138
H7 C3 H9 108.986 H8 C4 H10 108.986
H11 C5 H13 108.956 H12 C6 H14 108.956

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