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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 Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.5332 -1.0908 0.0000   0.0945 0.5247 -1.0908
H2 0.4160 -2.0943 0.0000   0.0737 0.4095 -2.0943
C3 -0.1025 -0.4666 1.1528   1.1164 -0.3051 -0.4666
C4 -0.1025 -0.4666 -1.1528   -1.1527 0.1034 -0.4666
C5 -0.1025 1.0182 0.7730   0.7426 -0.2378 1.0182
C6 -0.1025 1.0182 -0.7730   -0.7789 0.0361 1.0182
H7 -1.1334 -0.8145 1.3039   1.0824 -1.3465 -0.8145
H8 -1.1334 -0.8145 -1.3039   -1.4841 -0.8844 -0.8145
H9 0.4559 -0.6738 2.0641   2.1122 0.0829 -0.6738
H10 0.4559 -0.6738 -2.0641   -1.9506 0.8144 -0.6738
H11 0.7933 1.5036 1.1539   1.2762 0.5763 1.5036
H12 0.7933 1.5036 -1.1539   -0.9950 0.9852 1.5036
H13 -0.9602 1.5405 1.1920   1.0030 -1.1563 1.5405
H14 -0.9602 1.5405 -1.1920   -1.3433 -0.7338 1.5405
Atom - Atom Distances (Å)
  N1 H2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14
N1 1.0103 1.4569 1.4569 2.3344 2.3344 2.1340 2.1340 2.1072 2.1072 2.8513 2.8513 3.2519 3.2519
H2 1.0103 2.0608 2.0608 3.2487 3.2487 2.3956 2.3956 2.5059 2.5059 3.7972 3.7972 4.0654 4.0654
C3 1.4569 2.0608 2.3055 1.5326 2.4317 1.0985 2.6868 1.0886 3.2715 2.1643 3.1630 2.1831 3.2035
C4 1.4569 2.0608 2.3055 2.4317 1.5326 2.6868 1.0985 3.2715 1.0886 3.1630 2.1643 3.2035 2.1831
C5 2.3344 3.2487 1.5326 2.4317 1.5459 2.1687 2.9554 2.2003 3.3501 1.0877 2.1796 1.0882 2.2068
C6 2.3344 3.2487 2.4317 1.5326 1.5459 2.9554 2.1687 3.3501 2.2003 2.1796 1.0877 2.2068 1.0882
H7 2.1340 2.3956 1.0985 2.6868 2.1687 2.9554 2.6078 1.7673 3.7267 3.0180 3.8892 2.3640 3.4360
H8 2.1340 2.3956 2.6868 1.0985 2.9554 2.1687 2.6078 3.7267 1.7673 3.8892 3.0180 3.4360 2.3640
H9 2.1072 2.5059 1.0886 3.2715 2.2003 3.3501 1.7673 3.7267 4.1281 2.3840 3.9000 2.7693 4.1846
H10 2.1072 2.5059 3.2715 1.0886 3.3501 2.2003 3.7267 1.7673 4.1281 3.9000 2.3840 4.1846 2.7693
H11 2.8513 3.7972 2.1643 3.1630 1.0877 2.1796 3.0180 3.8892 2.3840 3.9000 2.3077 1.7543 2.9291
H12 2.8513 3.7972 3.1630 2.1643 2.1796 1.0877 3.8892 3.0180 3.9000 2.3840 2.3077 2.9291 1.7543
H13 3.2519 4.0654 2.1831 3.2035 1.0882 2.2068 2.3640 3.4360 2.7693 4.1846 1.7543 2.9291 2.3841
H14 3.2519 4.0654 3.2035 2.1831 2.2068 1.0882 3.4360 2.3640 4.1846 2.7693 2.9291 1.7543 2.3841
Maximum atom distance is 4.1846Å 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 102.650 N1 C4 C6 102.650
C3 N1 C4 104.606 C3 C5 C6 104.348
C4 C6 C5 104.348
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H7 112.497 N1 C3 H9 110.921
N1 C4 H8 112.497 N1 C4 H10 110.921
H2 N1 C3 112.023 H2 N1 C4 112.023
C3 C5 H11 110.219 C3 C5 H13 111.692
C4 C6 H12 110.219 C4 C6 H14 111.692
C5 C3 H7 109.931 C5 C3 H9 113.068
C5 C6 H12 110.499 C5 C6 H14 112.650
C6 C4 H8 109.931 C6 C4 H10 113.068
C6 C5 H11 110.499 C6 C5 H13 112.650
H7 C3 H9 107.812 H8 C4 H10 107.812
H11 C5 H13 107.458 H12 C6 H14 107.458

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