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Geometry for HO2CCHNH2CH2OH (Serine) 1A C1

1910171554
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1 INChIKey=MTCFGRXMJLQNBG-UWTATZPHSA-N

MP2/cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7748 -0.5503 0.0028   -0.7740 0.5511 0.0157
O2 2.0575 -0.3432 -0.3657   -2.0597 0.3503 -0.3456
O3 0.3855 -1.5680 0.5474   -0.3793 1.5614 0.5702
C4 -0.0843 0.6750 -0.3101   0.0810 -0.6711 -0.3193
C5 -1.5089 0.4485 0.1978   1.5098 -0.4528 0.1806
O6 -2.1144 -0.6789 -0.3913   2.1123 0.6813 -0.3987
N7 0.4495 1.9212 0.2288   -0.4503 -1.9234 0.2078
H8 2.5358 -1.1533 -0.1222   -2.5351 1.1579 -0.0881
H9 -0.1254 0.7647 -1.4108   0.1137 -0.7468 -1.4213
H10 -1.4828 0.3839 1.3056   1.4922 -0.4023 1.2893
H11 -2.1059 1.3323 -0.0732   2.1035 -1.3338 -0.1062
H12 -1.6378 -1.4369 -0.0276   1.6394 1.4352 -0.0218
H13 1.3648 2.1136 -0.1771   -1.3689 -2.1095 -0.1935
H14 0.5864 1.8292 1.2365   -0.5794 -1.8441 1.2175
Atom - Atom Distances (Å)
  C1 O2 O3 C4 C5 O6 N7 H8 H9 H10 H11 H12 H13 H14
C1 1.3505 1.2182 1.5288 2.5001 2.9188 2.5030 1.8656 2.1302 2.7689 3.4421 2.5705 2.7343 2.6869
O2 1.3505 2.2648 2.3721 3.6964 4.1854 2.8402 0.9718 2.6617 3.9819 4.4974 3.8685 2.5596 3.0742
O3 1.2182 2.2648 2.4468 2.7887 2.8145 3.5043 2.2900 3.0882 2.8064 3.8735 2.1075 3.8779 3.4722
C4 1.5288 2.3721 2.4468 1.5293 2.4415 1.4589 3.2004 1.1051 2.1566 2.1389 2.6369 2.0463 2.0430
C5 2.5001 3.6964 2.7887 1.5293 1.4088 2.4506 4.3620 2.1451 1.1100 1.1005 1.9032 3.3423 2.7158
O6 2.9188 4.1854 2.8145 2.4415 1.4088 3.7039 4.6821 2.6608 2.0995 2.0362 0.9664 4.4664 4.0293
N7 2.5030 2.8402 3.5043 1.4589 2.4506 3.7039 3.7321 2.0872 2.6938 2.6397 3.9622 1.0195 1.0211
H8 1.8656 0.9718 2.2900 3.2004 4.3620 4.6821 3.7321 3.5244 4.5333 5.2655 4.1842 3.4709 3.8133
H9 2.1302 2.6617 3.0882 1.1051 2.1451 2.6608 2.0872 3.5244 3.0605 2.4563 3.0079 2.3585 2.9407
H10 2.7689 3.9819 2.8064 2.1566 1.1100 2.0995 2.6938 4.5333 3.0605 1.7857 2.2621 3.6468 2.5250
H11 3.4421 4.4974 3.8735 2.1389 1.1005 2.0362 2.6397 5.2655 2.4563 1.7857 2.8089 3.5591 3.0349
H12 2.5705 3.8685 2.1075 2.6369 1.9032 0.9664 3.9622 4.1842 3.0079 2.2621 2.8089 4.6523 4.1488
H13 2.7343 2.5596 3.8779 2.0463 3.3423 4.4664 1.0195 3.4709 2.3585 3.6468 3.5591 4.6523 1.6385
H14 2.6869 3.0742 3.4722 2.0430 2.7158 4.0293 1.0211 3.8133 2.9407 2.5250 3.0349 4.1488 1.6385
Maximum atom distance is 5.2655Å between atoms H8 and H11.
picture of Serine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 C5 109.681 C1 C4 N7 113.790
O2 C1 O3 123.614 O2 C1 C4 110.794
O3 C1 C4 125.556 C4 C5 O6 112.338
C5 C4 N7 110.164
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H8 105.740 C1 C4 H9 106.846
C4 C5 H10 108.555 C4 C5 H11 107.734
C4 N7 H13 110.039 C4 N7 H14 109.674
C5 C4 H9 107.948 C5 O6 H12 104.969
O6 C5 H10 112.389 O6 C5 H11 107.850
N7 C4 H9 108.191 H10 C5 H11 107.773
H13 N7 H14 106.827

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