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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/3-21G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0869 -1.2083 -0.3022   -0.2805 0.1420 -1.2083
H2 0.2064 -2.1669 0.0389   0.0769 0.1955 -2.1669
C3 1.2573 -0.3241 0.0504   0.2851 1.2256 -0.3241
C4 -1.1314 -0.5328 0.2487   0.0323 -1.1579 -0.5328
C5 0.6457 1.1253 0.0906   0.2100 0.6173 1.1253
C6 -0.8774 0.9246 -0.2039   -0.3647 -0.8237 0.9246
H7 1.6963 -0.5627 1.0315   1.3310 1.4729 -0.5627
H8 -1.2084 -0.5726 1.3495   1.0992 -1.4399 -0.5726
H9 2.0340 -0.4205 -0.7136   -0.3198 2.1317 -0.4205
H10 -2.0353 -0.9627 -0.1915   -0.5695 -1.9634 -0.9627
H11 1.1153 1.7852 -0.6433   -0.4229 1.2161 1.7852
H12 -1.0599 0.9907 -1.2796   -1.4555 -0.8013 0.9907
H13 0.7810 1.5590 1.0862   1.2133 0.5637 1.5590
H14 -1.5035 1.6505 0.3221   0.0347 -1.5372 1.6505
Atom - Atom Distances (Å)
  N1 H2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14
N1 1.0244 1.5086 1.4981 2.4316 2.3429 2.1876 2.1932 2.1403 2.1393 3.1835 2.6657 3.1729 3.3305
H2 1.0244 2.1214 2.1223 3.3218 3.2849 2.4038 2.5022 2.6374 2.5551 4.1122 3.6485 3.9127 4.1924
C3 1.5086 2.1214 2.4060 1.5737 2.4861 1.1010 2.7981 1.0936 3.3627 2.2249 2.9777 2.2014 3.4051
C4 1.4981 2.1223 2.4060 2.4356 1.5470 2.9341 1.1042 3.3103 1.0935 3.3490 2.1591 2.9553 2.2159
C5 2.4316 3.3218 1.5737 2.4356 1.5643 2.1996 2.8117 2.2280 3.4099 1.0929 2.1920 1.0943 2.2245
C6 2.3429 3.2849 2.4861 1.5470 1.5643 3.2190 2.1827 3.2473 2.2142 2.2146 1.0931 2.1948 1.0934
H7 2.1876 2.4038 1.1010 2.9341 2.1996 3.2190 2.9221 1.7831 3.9472 2.9419 3.9179 2.3113 3.9547
H8 2.1932 2.5022 2.7981 1.1042 2.8117 2.1827 2.9221 3.8461 1.7918 3.8640 3.0624 2.9276 2.4667
H9 2.1403 2.6374 1.0936 3.3103 2.2280 3.2473 1.7831 3.8461 4.1383 2.3904 3.4473 2.9542 4.2279
H10 2.1393 2.5551 3.3627 1.0935 3.4099 2.2142 3.9472 1.7918 4.1383 4.2049 2.4395 3.9904 2.7157
H11 3.1835 4.1122 2.2249 3.3490 1.0929 2.2146 2.9419 3.8640 2.3904 4.2049 2.4016 1.7760 2.7943
H12 2.6657 3.6485 2.9777 2.1591 2.1920 1.0931 3.9179 3.0624 3.4473 2.4395 2.4016 3.0511 1.7882
H13 3.1729 3.9127 2.2014 2.9553 1.0943 2.1948 2.3113 2.9276 2.9542 3.9904 1.7760 3.0511 2.4106
H14 3.3305 4.1924 3.4051 2.2159 2.2245 1.0934 3.9547 2.4667 4.2279 2.7157 2.7943 1.7882 2.4106
Maximum atom distance is 4.2279Å 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 104.141 N1 C4 C6 100.587
C3 N1 C4 106.300 C3 C5 C6 104.796
C4 C6 C5 103.043
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H7 112.988 N1 C3 H9 109.636
N1 C4 H8 114.022 N1 C4 H10 110.299
H2 N1 C3 112.341 H2 N1 C4 113.226
C3 C5 H11 111.831 C3 C5 H13 109.890
C4 C6 H12 108.510 C4 C6 H14 112.995
C5 C3 H7 109.372 C5 C3 H9 112.029
C5 C6 H12 109.881 C5 C6 H14 112.442
C6 C4 H8 109.703 C6 C4 H10 112.848
C6 C5 H11 111.679 C6 C5 H13 110.032
H7 C3 H9 108.676 H8 C4 H10 109.236
H11 C5 H13 108.575 H12 C6 H14 109.736

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