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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

MP2/3-21G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7343 -0.5830 0.0100   -0.7335 0.5837 0.0231
O2 2.0565 -0.4404 -0.3477   -2.0585 0.4471 -0.3263
O3 0.2684 -1.5973 0.5440   -0.2622 1.5906 0.5663
C4 -0.0503 0.6914 -0.3186   0.0470 -0.6874 -0.3277
C5 -1.4873 0.5259 0.1949   1.4881 -0.5300 0.1767
O6 -2.1354 -0.6270 -0.3889   2.1331 0.6295 -0.3974
N7 0.5570 1.9298 0.2211   -0.5577 -1.9318 0.2009
H8 2.5707 -1.2580 -0.1315   -2.5701 1.2625 -0.0958
H9 -0.0851 0.7737 -1.4104   0.0733 -0.7558 -1.4207
H10 -1.4507 0.4851 1.2961   1.4600 -0.5032 1.2787
H11 -2.0444 1.4200 -0.0888   2.0419 -1.4211 -0.1225
H12 -1.7086 -1.4366 -0.0261   1.7101 1.4349 -0.0210
H13 1.4658 2.1251 -0.2027   -1.4700 -2.1207 -0.2183
H14 0.6575 1.8943 1.2388   -0.6504 -1.9091 1.2198
Atom - Atom Distances (Å)
  C1 O2 O3 C4 C5 O6 N7 H8 H9 H10 H11 H12 H13 H14
C1 1.3771 1.2374 1.5323 2.4899 2.8977 2.5278 1.9616 2.1282 2.7512 3.4268 2.5880 2.8132 2.7664
O2 1.3771 2.3089 2.3917 3.7130 4.1962 2.8617 0.9898 2.6813 3.9823 4.5106 3.9079 2.6366 3.1504
O3 1.2374 2.3089 2.4666 2.7771 2.7550 3.5536 2.4233 3.0929 2.8031 3.8540 2.0638 3.9809 3.5813
C4 1.5323 2.3917 2.4666 1.5350 2.4680 1.4810 3.2719 1.0954 2.1474 2.1355 2.7137 2.0898 2.0913
C5 2.4899 3.7130 2.7771 1.5350 1.4457 2.4801 4.4448 2.1458 1.1026 1.0910 1.9873 3.3818 2.7501
O6 2.8977 4.1962 2.7550 2.4680 1.4457 3.7628 4.7552 2.6850 2.1319 2.0709 0.9845 4.5363 4.0997
N7 2.5278 2.8617 3.5536 1.4810 2.4801 3.7628 3.7870 2.1001 2.6969 2.6690 4.0653 1.0216 1.0233
H8 1.9616 0.9898 2.4233 3.2719 4.4448 4.7552 3.7870 3.5800 4.6096 5.3360 4.2844 3.5597 3.9339
H9 2.1282 2.6813 3.0929 1.0954 2.1458 2.6850 2.1001 3.5800 3.0452 2.4502 3.0721 2.3854 2.9708
H10 2.7512 3.9823 2.8031 2.1474 1.1026 2.1319 2.6969 4.6096 3.0452 1.7733 2.3469 3.6663 2.5365
H11 3.4268 4.5106 3.8540 2.1355 1.0910 2.0709 2.6690 5.3360 2.4502 1.7733 2.8770 3.5822 3.0477
H12 2.5880 3.9079 2.0638 2.7137 1.9873 0.9845 4.0653 4.2844 3.0721 2.3469 2.8770 4.7743 4.2771
H13 2.8132 2.6366 3.9809 2.0898 3.3818 4.5363 1.0216 3.5597 2.3854 3.6663 3.5822 4.7743 1.6687
H14 2.7664 3.1504 3.5813 2.0913 2.7501 4.0997 1.0233 3.9339 2.9708 2.5365 3.0477 4.2771 1.6687
Maximum atom distance is 5.3360Å 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 108.538 C1 C4 N7 114.036
O2 C1 O3 123.957 O2 C1 C4 110.473
O3 C1 C4 125.558 C4 C5 O6 111.754
C5 C4 N7 110.617
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H8 110.887 C1 C4 H9 107.005
C4 C5 H10 107.879 C4 C5 H11 107.620
C4 N7 H13 111.927 C4 N7 H14 111.951
C5 C4 H9 108.166 C5 O6 H12 108.217
O6 C5 H10 112.873 O6 C5 H11 108.640
N7 C4 H9 108.270 H10 C5 H11 107.878
H13 N7 H14 109.376

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