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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

QCISD/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.5615 -1.0897 0.0000   0.1025 0.5521 -1.0897
H2 0.4227 -2.1033 0.0000   0.0772 0.4156 -2.1033
C3 -0.1070 -0.4736 1.1545   1.1155 -0.3160 -0.4736
C4 -0.1070 -0.4736 -1.1545   -1.1546 0.1056 -0.4736
C5 -0.1070 1.0255 0.7795   0.7468 -0.2476 1.0255
C6 -0.1070 1.0255 -0.7795   -0.7859 0.0372 1.0255
H7 -1.1574 -0.8272 1.2813   1.0483 -1.3719 -0.8272
H8 -1.1574 -0.8272 -1.2813   -1.4711 -0.9039 -0.8272
H9 0.4389 -0.6869 2.0902   2.1352 0.0498 -0.6869
H10 0.4389 -0.6869 -2.0902   -1.9749 0.8132 -0.6869
H11 0.8036 1.5148 1.1661   1.2932 0.5771 1.5148
H12 0.8036 1.5148 -1.1661   -0.9997 1.0031 1.5148
H13 -0.9777 1.5532 1.2059   1.0070 -1.1815 1.5532
H14 -0.9777 1.5532 -1.2059   -1.3642 -0.7411 1.5532
Atom - Atom Distances (Å)
  N1 H2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14
N1 1.0231 1.4695 1.4695 2.3512 2.3512 2.1599 2.1599 2.1321 2.1321 2.8638 2.8638 3.2876 3.2876
H2 1.0231 2.0662 2.0662 3.2676 3.2676 2.4014 2.4014 2.5249 2.5249 3.8203 3.8203 4.0970 4.0970
C3 1.4695 2.0662 2.3090 1.5453 2.4469 1.1155 2.6760 1.1041 3.2972 2.1870 3.1887 2.2065 3.2307
C4 1.4695 2.0662 2.3090 2.4469 1.5453 2.6760 1.1155 3.2972 1.1041 3.1887 2.1870 3.2307 2.2065
C5 2.3512 3.2676 1.5453 2.4469 1.5590 2.1880 2.9635 2.2244 3.3860 1.1036 2.2031 1.1039 2.2312
C6 2.3512 3.2676 2.4469 1.5453 1.5590 2.9635 2.1880 3.3860 2.2244 2.2031 1.1036 2.2312 1.1039
H7 2.1599 2.4014 1.1155 2.6760 2.1880 2.9635 2.5625 1.7950 3.7329 3.0567 3.9140 2.3884 3.4474
H8 2.1599 2.4014 2.6760 1.1155 2.9635 2.1880 2.5625 3.7329 1.7950 3.9140 3.0567 3.4474 2.3884
H9 2.1321 2.5249 1.1041 3.2972 2.2244 3.3860 1.7950 3.7329 4.1803 2.4154 3.9476 2.7941 4.2295
H10 2.1321 2.5249 3.2972 1.1041 3.3860 2.2244 3.7329 1.7950 4.1803 3.9476 2.4154 4.2295 2.7941
H11 2.8638 3.8203 2.1870 3.1887 1.1036 2.2031 3.0567 3.9140 2.4154 3.9476 2.3321 1.7822 2.9666
H12 2.8638 3.8203 3.1887 2.1870 2.2031 1.1036 3.9140 3.0567 3.9476 2.4154 2.3321 2.9666 1.7822
H13 3.2876 4.0970 2.2065 3.2307 1.1039 2.2312 2.3884 3.4474 2.7941 4.2295 1.7822 2.9666 2.4118
H14 3.2876 4.0970 3.2307 2.2065 2.2312 1.1039 3.4474 2.3884 4.2295 2.7941 2.9666 1.7822 2.4118
Maximum atom distance is 4.2295Å 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 102.478 N1 C4 C6 102.478
C3 N1 C4 103.563 C3 C5 C6 104.045
C4 C6 C5 104.045
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H7 112.627 N1 C3 H9 111.093
N1 C4 H8 112.627 N1 C4 H10 111.093
H2 N1 C3 110.711 H2 N1 C4 110.711
C3 C5 H11 110.186 C3 C5 H13 111.718
C4 C6 H12 110.186 C4 C6 H14 111.718
C5 C3 H7 109.579 C5 C3 H9 113.147
C5 C6 H12 110.503 C5 C6 H14 112.723
C6 C4 H8 109.579 C6 C4 H10 113.147
C6 C5 H11 110.503 C6 C5 H13 112.723
H7 C3 H9 107.940 H8 C4 H10 107.940
H11 C5 H13 107.675 H12 C6 H14 107.675

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