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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

CID/6-31G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0711 -1.2174 -0.1781   0.0535 -1.2213 -0.1558
H2 0.1737 -2.1547 0.1764   0.0469 -2.1576 0.2160
C3 1.2552 -0.3337 -0.0462   -1.2146 -0.4608 -0.0381
C4 -1.1641 -0.5022 0.1893   1.2092 -0.3773 0.1966
C5 0.6582 1.0864 0.1702   -0.7656 1.0165 0.1514
C6 -0.8339 0.9448 -0.2232   0.7332 1.0207 -0.2417
H7 1.9014 -0.6166 0.7962   -1.8288 -0.7926 0.8104
H8 -1.3924 -0.5440 1.2682   1.4403 -0.3759 1.2757
H9 1.8616 -0.3801 -0.9564   -1.8129 -0.5854 -0.9463
H10 -2.0210 -0.9112 -0.3524   2.1035 -0.7067 -0.3390
H11 1.1781 1.8481 -0.4163   -1.3604 1.7103 -0.4481
H12 -0.9555 1.0530 -1.3054   0.8435 1.1208 -1.3259
H13 0.7355 1.3721 1.2250   -0.8719 1.3122 1.2010
H14 -1.4714 1.6832 0.2704   1.2920 1.8291 0.2373
Atom - Atom Distances (Å)
  N1 H2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14
N1 1.0074 1.4834 1.4738 2.4027 2.3444 2.1588 2.1650 2.1243 2.1216 3.2679 2.7348 3.0192 3.3157
H2 1.0074 2.1296 2.1262 3.2771 3.2836 2.3948 2.4979 2.6984 2.5774 4.1692 3.7095 3.7221 4.1767
C3 1.4834 2.1296 2.4366 1.5556 2.4556 1.0987 2.9634 1.0947 3.3408 2.2143 2.8975 2.1900 3.4063
C4 1.4738 2.1262 2.4366 2.4176 1.5405 3.1271 1.1036 3.2377 1.0932 3.3729 2.1671 2.8626 2.2083
C5 2.4027 3.2771 1.5556 2.4176 1.5495 2.1994 2.8406 2.2064 3.3825 1.0930 2.1869 1.0956 2.2139
C6 2.3444 3.2836 2.4556 1.5405 1.5495 3.3104 2.1801 3.0917 2.2070 2.2139 1.0944 2.1778 1.0933
H7 2.1588 2.3948 1.0987 3.1271 2.1994 3.3104 3.3283 1.7689 4.0978 2.8404 3.9200 2.3448 4.1160
H8 2.1650 2.4979 2.9634 1.1036 2.8406 2.1801 3.3283 3.9452 1.7766 3.8946 3.0602 2.8639 2.4418
H9 2.1243 2.6984 1.0947 3.2377 2.2064 3.0917 1.7689 3.9452 3.9651 2.3924 3.1799 3.0161 4.1075
H10 2.1216 2.5774 3.3408 1.0932 3.3825 2.2070 4.0978 1.7766 3.9651 4.2252 2.4293 3.9116 2.7241
H11 3.2679 4.1692 2.2143 3.3729 1.0930 2.2139 2.8404 3.8946 2.3924 4.2252 2.4444 1.7654 2.7421
H12 2.7348 3.7095 2.8975 2.1671 2.1869 1.0944 3.9200 3.0602 3.1799 2.4293 2.4444 3.0601 1.7738
H13 3.0192 3.7221 2.1900 2.8626 1.0956 2.1778 2.3448 2.8639 3.0161 3.9116 1.7654 3.0601 2.4246
H14 3.3157 4.1767 3.4063 2.2083 2.2139 1.0933 4.1160 2.4418 4.1075 2.7241 2.7421 1.7738 2.4246
Maximum atom distance is 4.2252Å between atoms H10 and H11.
picture of Pyrrolidine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 C5 104.467 N1 C4 C6 102.086
C3 N1 C4 110.963 C3 C5 C6 104.528
C4 C6 C5 102.959
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H7 112.604 N1 C3 H9 110.060
N1 C4 H8 113.501 N1 C4 H10 110.599
H2 N1 C3 116.208 H2 N1 C4 116.689
C3 C5 H11 112.271 C3 C5 H13 110.177
C4 C6 H12 109.498 C4 C6 H14 112.859
C5 C3 H7 110.739 C5 C3 H9 111.527
C5 C6 H12 110.429 C5 C6 H14 112.660
C6 C4 H8 109.984 C6 C4 H10 112.755
C6 C5 H11 112.676 C6 C5 H13 109.646
H7 C3 H9 107.500 H8 C4 H10 107.943
H11 C5 H13 107.538 H12 C6 H14 108.353

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