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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

MP2=FULL/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.5587 -1.0799 0.0000   -1.1654 0.0000 0.3468
H2 0.4516 -2.0945 0.0000   -2.1420 0.0000 0.0519
C3 -0.1079 -0.4693 1.1501   -0.4408 1.1501 -0.1938
C4 -0.1079 -0.4693 -1.1501   -0.4408 -1.1501 -0.1938
C5 -0.1079 1.0173 0.7739   1.0195 0.7739 0.0843
C6 -0.1079 1.0173 -0.7739   1.0195 -0.7739 0.0843
H7 -1.1467 -0.8228 1.2774   -0.5938 1.2774 -1.2803
H8 -1.1467 -0.8228 -1.2774   -0.5938 -1.2774 -1.2803
H9 0.4368 -0.6807 2.0750   -0.7504 2.0750 0.3018
H10 0.4368 -0.6807 -2.0750   -0.7504 -2.0750 0.3018
H11 0.7932 1.5017 1.1571   1.3268 1.1571 1.0601
H12 0.7932 1.5017 -1.1571   1.3268 -1.1571 1.0601
H13 -0.9699 1.5408 1.1959   1.6950 1.1959 -0.6646
H14 -0.9699 1.5408 -1.1959   1.6950 -1.1959 -0.6646
Atom - Atom Distances (Å)
  N1 H2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14
N1 1.0202 1.4628 1.4628 2.3327 2.3327 2.1462 2.1462 2.1165 2.1165 2.8387 2.8387 3.2611 3.2611
H2 1.0202 2.0681 2.0681 3.2550 3.2550 2.4091 2.4091 2.5109 2.5109 3.7931 3.7931 4.0824 4.0824
C3 1.4628 2.0681 2.3002 1.5334 2.4314 1.1047 2.6640 1.0940 3.2776 2.1672 3.1654 2.1876 3.2073
C4 1.4628 2.0681 2.3002 2.4314 1.5334 2.6640 1.1047 3.2776 1.0940 3.1654 2.1672 3.2073 2.1876
C5 2.3327 3.2550 1.5334 2.4314 1.5478 2.1722 2.9450 2.2074 3.3609 1.0924 2.1852 1.0932 2.2129
C6 2.3327 3.2550 2.4314 1.5334 1.5478 2.9450 2.1722 3.3609 2.2074 2.1852 1.0924 2.2129 1.0932
H7 2.1462 2.4091 1.1047 2.6640 2.1722 2.9450 2.5549 1.7787 3.7103 3.0300 3.8850 2.3716 3.4257
H8 2.1462 2.4091 2.6640 1.1047 2.9450 2.1722 2.5549 3.7103 1.7787 3.8850 3.0300 3.4257 2.3716
H9 2.1165 2.5109 1.0940 3.2776 2.2074 3.3609 1.7787 3.7103 4.1500 2.3942 3.9161 2.7725 4.1967
H10 2.1165 2.5109 3.2776 1.0940 3.3609 2.2074 3.7103 1.7787 4.1500 3.9161 2.3942 4.1967 2.7725
H11 2.8387 3.7931 2.1672 3.1654 1.0924 2.1852 3.0300 3.8850 2.3942 3.9161 2.3142 1.7639 2.9405
H12 2.8387 3.7931 3.1654 2.1672 2.1852 1.0924 3.8850 3.0300 3.9161 2.3942 2.3142 2.9405 1.7639
H13 3.2611 4.0824 2.1876 3.2073 1.0932 2.2129 2.3716 3.4257 2.7725 4.1967 1.7639 2.9405 2.3918
H14 3.2611 4.0824 3.2073 2.1876 2.2129 1.0932 3.4257 2.3716 4.1967 2.7725 2.9405 1.7639 2.3918
Maximum atom distance is 4.1967Å 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 102.229 N1 C4 C6 102.229
C3 N1 C4 103.664 C3 C5 C6 104.201
C4 C6 C5 104.201
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H7 112.677 N1 C3 H9 110.924
N1 C4 H8 112.677 N1 C4 H10 110.924
H2 N1 C3 111.551 H2 N1 C4 111.551
C3 C5 H11 110.109 C3 C5 H13 111.687
C4 C6 H12 110.109 C4 C6 H14 111.687
C5 C3 H7 109.788 C5 C3 H9 113.250
C5 C6 H12 110.534 C5 C6 H14 112.705
C6 C4 H8 109.788 C6 C4 H10 113.250
C6 C5 H11 110.534 C6 C5 H13 112.705
H7 C3 H9 107.992 H8 C4 H10 107.992
H11 C5 H13 107.618 H12 C6 H14 107.618

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