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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/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.5714 -1.0783 0.0000   0.1062 0.5614 -1.0783
H2 0.4482 -2.0938 0.0000   0.0833 0.4404 -2.0938
C3 -0.1095 -0.4736 1.1477   1.1074 -0.3209 -0.4736
C4 -0.1095 -0.4736 -1.1477   -1.1481 0.1057 -0.4736
C5 -0.1095 1.0209 0.7770   0.7432 -0.2520 1.0209
C6 -0.1095 1.0209 -0.7770   -0.7839 0.0368 1.0209
H7 -1.1585 -0.8282 1.2604   1.0231 -1.3725 -0.8282
H8 -1.1585 -0.8282 -1.2604   -1.4537 -0.9041 -0.8282
H9 0.4255 -0.6878 2.0862   2.1289 0.0304 -0.6878
H10 0.4255 -0.6878 -2.0862   -1.9707 0.8058 -0.6878
H11 0.8001 1.5059 1.1622   1.2907 0.5702 1.5059
H12 0.8001 1.5059 -1.1622   -0.9933 1.0022 1.5059
H13 -0.9771 1.5474 1.2034   1.0008 -1.1838 1.5474
H14 -0.9771 1.5474 -1.2034   -1.3640 -0.7365 1.5474
Atom - Atom Distances (Å)
  N1 H2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14
N1 1.0229 1.4651 1.4651 2.3397 2.3397 2.1549 2.1549 2.1274 2.1274 2.8427 2.8427 3.2772 3.2772
H2 1.0229 2.0623 2.0623 3.2583 3.2583 2.4025 2.4025 2.5158 2.5158 3.7990 3.7990 4.0912 4.0912
C3 1.4651 2.0623 2.2954 1.5398 2.4369 1.1130 2.6505 1.1013 3.2848 2.1786 3.1751 2.2001 3.2194
C4 1.4651 2.0623 2.2954 2.4369 1.5398 2.6505 1.1130 3.2848 1.1013 3.1751 2.1786 3.2194 2.2001
C5 2.3397 3.2583 1.5398 2.4369 1.5541 2.1802 2.9446 2.2181 3.3770 1.1004 2.1962 1.1008 2.2253
C6 2.3397 3.2583 2.4369 1.5398 1.5541 2.9446 2.1802 3.3770 2.2181 2.1962 1.1004 2.2253 1.1008
H7 2.1549 2.4025 1.1130 2.6505 2.1802 2.9446 2.5208 1.7918 3.7052 3.0485 3.8927 2.3831 3.4273
H8 2.1549 2.4025 2.6505 1.1130 2.9446 2.1802 2.5208 3.7052 1.7918 3.8927 3.0485 3.4273 2.3831
H9 2.1274 2.5158 1.1013 3.2848 2.2181 3.3770 1.7918 3.7052 4.1723 2.4096 3.9376 2.7826 4.2172
H10 2.1274 2.5158 3.2848 1.1013 3.3770 2.2181 3.7052 1.7918 4.1723 3.9376 2.4096 4.2172 2.7826
H11 2.8427 3.7990 2.1786 3.1751 1.1004 2.1962 3.0485 3.8927 2.4096 3.9376 2.3244 1.7782 2.9591
H12 2.8427 3.7990 3.1751 2.1786 2.1962 1.1004 3.8927 3.0485 3.9376 2.4096 2.3244 2.9591 1.7782
H13 3.2772 4.0912 2.2001 3.2194 1.1008 2.2253 2.3831 3.4273 2.7826 4.2172 1.7782 2.9591 2.4068
H14 3.2772 4.0912 3.2194 2.2001 2.2253 1.1008 3.4273 2.3831 4.2172 2.7826 2.9591 1.7782 2.4068
Maximum atom distance is 4.2172Å 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 102.241 N1 C4 C6 102.241
C3 N1 C4 103.140 C3 C5 C6 103.929
C4 C6 C5 103.929
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H7 112.698 N1 C3 H9 111.192
N1 C4 H8 112.698 N1 C4 H10 111.192
H2 N1 C3 110.717 H2 N1 C4 110.717
C3 C5 H11 110.089 C3 C5 H13 111.774
C4 C6 H12 110.089 C4 C6 H14 111.774
C5 C3 H7 109.484 C5 C3 H9 113.198
C5 C6 H12 110.488 C5 C6 H14 112.788
C6 C4 H8 109.484 C6 C4 H10 113.198
C6 C5 H11 110.488 C6 C5 H13 112.788
H7 C3 H9 108.037 H8 C4 H10 108.037
H11 C5 H13 107.772 H12 C6 H14 107.772

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