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Geometry for HO2CCHNH2CH2OH (Serine) 1A C1

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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=FULL/cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7731 -0.5502 0.0026   0.7730 -0.5501 -0.0112
O2 2.0553 -0.3444 -0.3652   2.0523 -0.3391 -0.3864
O3 0.3827 -1.5670 0.5469   0.3870 -1.5743 0.5222
C4 -0.0837 0.6747 -0.3101   -0.0861 0.6789 -0.3001
C5 -1.5068 0.4494 0.1977   -1.5051 0.4465 0.2160
O6 -2.1125 -0.6770 -0.3909   -2.1156 -0.6718 -0.3832
N7 0.4511 1.9191 0.2287   0.4530 1.9158 0.2514
H8 2.5326 -1.1545 -0.1215   2.5315 -1.1525 -0.1577
H9 -0.1249 0.7643 -1.4098   -0.1362 0.7836 -1.3981
H10 -1.4803 0.3849 1.3045   -1.4697 0.3668 1.3215
H11 -2.1028 1.3328 -0.0728   -2.1033 1.3335 -0.0375
H12 -1.6356 -1.4346 -0.0279   -1.6358 -1.4342 -0.0344
H13 1.3660 2.1101 -0.1768   1.3646 2.1125 -0.1587
H14 0.5881 1.8263 1.2355   0.5980 1.8092 1.2557
Atom - Atom Distances (Å)
  C1 O2 O3 C4 C5 O6 N7 H8 H9 H10 H11 H12 H13 H14
C1 1.3497 1.2176 1.5271 2.4970 2.9150 2.5004 1.8645 2.1282 2.7653 3.4383 2.5661 2.7315 2.6836
O2 1.3497 2.2637 2.3700 3.6926 4.1811 2.8372 0.9713 2.6597 3.9774 4.4932 3.8633 2.5564 3.0703
O3 1.2176 2.2637 2.4448 2.7853 2.8102 3.5012 2.2889 3.0857 2.8025 3.8692 2.1027 3.8745 3.4685
C4 1.5271 2.3700 2.4448 1.5277 2.4392 1.4577 3.1979 1.1042 2.1544 2.1369 2.6339 2.0444 2.0411
C5 2.4970 3.6926 2.7853 1.5277 1.4079 2.4483 4.3578 2.1431 1.1090 1.0995 1.9018 3.3393 2.7132
O6 2.9150 4.1811 2.8102 2.4392 1.4079 3.7008 4.6773 2.6582 2.0980 2.0349 0.9660 4.4625 4.0255
N7 2.5004 2.8372 3.5012 1.4577 2.4483 3.7008 3.7286 2.0857 2.6910 2.6376 3.9582 1.0188 1.0203
H8 1.8645 0.9713 2.2889 3.1979 4.3578 4.6773 3.7286 3.5219 4.5283 5.2608 4.1786 3.4672 3.8089
H9 2.1282 2.6597 3.0857 1.1042 2.1431 2.6582 2.0857 3.5219 3.0575 2.4542 3.0046 2.3568 2.9384
H10 2.7653 3.9774 2.8025 2.1544 1.1090 2.0980 2.6910 4.5283 3.0575 1.7841 2.2604 3.6431 2.5220
H11 3.4383 4.4932 3.8692 2.1369 1.0995 2.0349 2.6376 5.2608 2.4542 1.7841 2.8069 3.5564 3.0325
H12 2.5661 3.8633 2.1027 2.6339 1.9018 0.9660 3.9582 4.1786 3.0046 2.2604 2.8069 4.6472 4.1442
H13 2.7315 2.5564 3.8745 2.0444 3.3393 4.4625 1.0188 3.4672 2.3568 3.6431 3.5564 4.6472 1.6372
H14 2.6836 3.0703 3.4685 2.0411 2.7132 4.0255 1.0203 3.8089 2.9384 2.5220 3.0325 4.1442 1.6372
Maximum atom distance is 5.2608Å 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 109.650 C1 C4 N7 113.782
O2 C1 O3 123.624 O2 C1 C4 110.787
O3 C1 C4 125.552 C4 C5 O6 112.321
C5 C4 N7 110.169
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H8 105.736 C1 C4 H9 106.855
C4 C5 H10 108.546 C4 C5 H11 107.742
C4 N7 H13 110.023 C4 N7 H14 109.652
C5 C4 H9 107.954 C5 O6 H12 104.947
O6 C5 H10 112.395 O6 C5 H11 107.865
N7 C4 H9 108.212 H10 C5 H11 107.772
H13 N7 H14 106.810

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