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Geometry for C5H11N (Cyclopentanamine) 1A' CS

1910171554
InChI=1S/C5H11N/c6-5-3-1-2-4-5/h5H,1-4,6H2 INChIKey=NISGSNTVMOOSJQ-UHFFFAOYSA-N

B1B95/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.1798 2.1355 0.0000   2.1394 0.0000 -0.1255
C2 0.4608 0.7090 0.0000   0.7673 0.0000 0.3554
H3 1.5411 0.4736 0.0000   0.6878 0.0000 1.4582
H4 0.6129 2.5685 0.8103   2.6296 0.8103 0.2417
H5 0.6129 2.5685 -0.8103   2.6296 -0.8103 0.2417
C6 -0.1826 -1.4850 0.7742   -1.4959 0.7742 0.0303
C7 -0.1826 -1.4850 -0.7742   -1.4959 -0.7742 0.0303
C8 -0.1826 -0.0069 -1.1822   -0.0328 -1.1822 -0.1797
C9 -0.1826 -0.0069 1.1822   -0.0328 1.1822 -0.1797
H10 -1.0400 -2.0184 -1.1899   -2.1457 -1.1899 -0.7427
H11 -1.0400 -2.0184 1.1899   -2.1457 1.1899 -0.7427
H12 0.7105 -1.9879 1.1548   -1.8668 1.1548 0.9858
H13 0.7105 -1.9879 -1.1548   -1.8668 -1.1548 0.9858
H14 -1.2043 0.3751 -1.2787   0.2001 -1.2787 -1.2453
H15 -1.2043 0.3751 1.2787   0.2001 1.2787 -1.2453
H16 0.3292 0.1762 -2.1315   0.2212 -2.1315 0.3009
H17 0.3292 0.1762 2.1315   0.2212 2.1315 0.3009
Atom - Atom Distances (Å)
  N1 C2 H3 H4 H5 C6 C7 C8 C9 H10 H11 H12 H13 H14 H15 H16 H17
N1 1.4539 2.1482 1.0157 1.0157 3.7200 3.7200 2.4736 2.4736 4.4898 4.4898 4.3148 4.3148 2.5787 2.5787 2.8990 2.8990
C2 1.4539 1.1056 2.0341 2.0341 2.4139 2.4139 1.5245 1.5245 3.3327 3.3327 2.9443 2.9443 2.1258 2.1258 2.2010 2.2010
H3 2.1482 1.1056 2.4304 2.4304 2.7215 2.7215 2.1447 2.1447 3.7800 3.7800 2.8430 2.8430 3.0302 3.0302 2.4699 2.4699
H4 1.0157 2.0341 2.4304 1.6206 4.1310 4.4243 3.3520 2.7211 5.2700 4.8904 4.5705 4.9631 3.5323 2.8867 3.8023 2.7476
H5 1.0157 2.0341 2.4304 1.6206 4.4243 4.1310 2.7211 3.3520 4.8904 5.2700 4.9631 4.5705 2.8867 3.5323 2.7476 3.8023
C6 3.7200 2.4139 2.7215 4.1310 4.4243 1.5485 2.4520 1.5333 2.2085 1.0921 1.0933 2.1844 2.9526 2.1813 3.3859 2.2054
C7 3.7200 2.4139 2.7215 4.4243 4.1310 1.5485 1.5333 2.4520 1.0921 2.2085 2.1844 1.0933 2.1813 2.9526 2.2054 3.3859
C8 2.4736 1.5245 2.1447 3.3520 2.7211 2.4520 1.5333 2.3644 2.1866 3.2262 3.1911 2.1731 1.0950 2.6918 1.0939 3.3579
C9 2.4736 1.5245 2.1447 2.7211 3.3520 1.5333 2.4520 2.3644 3.2262 2.1866 2.1731 3.1911 2.6918 1.0950 3.3579 1.0939
H10 4.4898 3.3327 3.7800 5.2700 4.8904 2.2085 1.0921 2.1866 3.2262 2.3799 2.9262 1.7511 2.4007 3.4423 2.7528 4.2098
H11 4.4898 3.3327 3.7800 4.8904 5.2700 1.0921 2.2085 3.2262 2.1866 2.3799 1.7511 2.9262 3.4423 2.4007 4.2098 2.7528
H12 4.3148 2.9443 2.8430 4.5705 4.9631 1.0933 2.1844 3.1911 2.1731 2.9262 1.7511 2.3095 3.8951 3.0439 3.9532 2.4047
H13 4.3148 2.9443 2.8430 4.9631 4.5705 2.1844 1.0933 2.1731 3.1911 1.7511 2.9262 2.3095 3.0439 3.8951 2.4047 3.9532
H14 2.5787 2.1258 3.0302 3.5323 2.8867 2.9526 2.1813 1.0950 2.6918 2.4007 3.4423 3.8951 3.0439 2.5573 1.7659 3.7443
H15 2.5787 2.1258 3.0302 2.8867 3.5323 2.1813 2.9526 2.6918 1.0950 3.4423 2.4007 3.0439 3.8951 2.5573 3.7443 1.7659
H16 2.8990 2.2010 2.4699 3.8023 2.7476 3.3859 2.2054 1.0939 3.3579 2.7528 4.2098 3.9532 2.4047 1.7659 3.7443 4.2629
H17 2.8990 2.2010 2.4699 2.7476 3.8023 2.2054 3.3859 3.3579 1.0939 4.2098 2.7528 2.4047 3.9532 3.7443 1.7659 4.2629
Maximum atom distance is 5.2700Å between atoms H4 and H10.
picture of Cyclopentanamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 C8 112.283 N1 C2 C9 112.283
C2 C8 C7 104.261 C2 C9 C6 104.261
C6 C7 C8 105.430 C7 C6 C9 105.430
C8 C2 C9 101.697
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H3 113.434 C2 N1 H4 109.628
C2 N1 H5 109.628 C2 C8 H14 107.354
C2 C8 H16 113.382 C2 C9 H15 107.354
C2 C9 H17 113.382 H3 C2 C8 108.204
H3 C2 C9 108.204 H4 N1 H5 105.834
C6 C7 H10 112.374 C6 C7 H13 110.370
C6 C9 H15 111.082 C6 C9 H17 113.097
C7 C6 H11 112.374 C7 C6 H12 110.370
C7 C8 H14 111.082 C7 C8 H16 113.097
C8 C7 H10 111.687 C8 C7 H13 110.537
C9 C6 H11 111.687 C9 C6 H12 110.537
H10 C7 H13 106.512 H11 C6 H12 106.512
H14 C8 H16 107.559 H15 C9 H17 107.559

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