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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

HF/CEP-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8304 -0.5119 0.0217   -0.8283 -0.5154 -0.0220
O2 2.0793 -0.2905 -0.4069   -2.0744 -0.3059 0.4203
O3 0.5257 -1.5290 0.5896   -0.5238 -1.5229 -0.6070
C4 -0.1160 0.6604 -0.3012   0.1156 0.6565 0.3096
C5 -1.5487 0.3816 0.1957   1.5452 0.3915 -0.2034
O6 -2.1307 -0.7497 -0.4032   2.1374 -0.7455 0.3743
N7 0.3531 1.9390 0.2323   -0.3638 1.9405 -0.2014
H8 2.6117 -1.0531 -0.1865   -2.6053 -1.0678 0.1935
H9 -0.1465 0.7364 -1.3875   0.1550 0.7172 1.3966
H10 -1.5564 0.3034 1.2881   1.5440 0.3290 -1.2967
H11 -2.1586 1.2374 -0.0804   2.1536 1.2461 0.0799
H12 -1.7170 -1.5314 -0.0523   1.7243 -1.5241 0.0157
H13 1.2338 2.2058 -0.1725   -1.2422 2.1973 0.2146
H14 0.4722 1.9019 1.2314   -0.4913 1.9172 -1.1999
Atom - Atom Distances (Å)
  C1 O2 O3 C4 C5 O6 N7 H8 H9 H10 H11 H12 H13 H14
C1 1.3388 1.2041 1.5409 2.5473 3.0008 2.5059 1.8733 2.1210 2.8223 3.4648 2.7448 2.7543 2.7237
O2 1.3388 2.2227 2.3948 3.7386 4.2350 2.8912 0.9558 2.6401 4.0551 4.5167 4.0097 2.6460 3.1739
O3 1.2041 2.2227 2.4492 2.8476 2.9409 3.4907 2.2760 3.0811 2.8602 3.9125 2.3327 3.8770 3.4909
C4 1.5409 2.3948 2.4492 1.5418 2.4612 1.4627 3.2233 1.0894 2.1743 2.1340 2.7256 2.0559 2.0582
C5 2.5473 3.7386 2.8476 1.5418 1.4061 2.4584 4.4174 2.1444 1.0951 1.0866 1.9364 3.3474 2.7328
O6 3.0008 4.2350 2.9409 2.4612 1.4061 3.7151 4.7570 2.6673 2.0734 2.0134 0.9515 4.4841 4.0593
N7 2.5059 2.8912 3.4907 1.4627 2.4584 3.7151 3.7722 2.0783 2.7270 2.6265 4.0510 1.0053 1.0069
H8 1.8733 0.9558 2.2760 3.2233 4.4174 4.7570 3.7722 3.5004 4.6247 5.2928 4.3571 3.5383 3.9141
H9 2.1210 2.6401 3.0811 1.0894 2.1444 2.6673 2.0783 3.5004 3.0551 2.4511 3.0647 2.3537 2.9325
H10 2.8223 4.0551 2.8602 2.1743 1.0951 2.0734 2.7270 4.6247 3.0551 1.7629 2.2779 3.6793 2.5834
H11 3.4648 4.5167 3.9125 2.1340 1.0866 2.0134 2.6265 5.2928 2.4511 1.7629 2.8040 3.5291 3.0139
H12 2.7448 4.0097 2.3327 2.7256 1.9364 0.9515 4.0510 4.3571 3.0647 2.2779 2.8040 4.7632 4.2695
H13 2.7543 2.6460 3.8770 2.0559 3.3474 4.4841 1.0053 3.5383 2.3537 3.6793 3.5291 4.7632 1.6258
H14 2.7237 3.1739 3.4909 2.0582 2.7328 4.0593 1.0069 3.9141 2.9325 2.5834 3.0139 4.2695 1.6258
Maximum atom distance is 5.2928Å 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 111.447 C1 C4 N7 113.058
O2 C1 O3 121.786 O2 C1 C4 112.337
O3 C1 C4 125.877 C4 C5 O6 113.128
C5 C4 N7 109.788
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H8 108.290 C1 C4 H9 106.214
C4 C5 H10 109.934 C4 C5 H11 107.292
C4 N7 H13 111.473 C4 N7 H14 111.568
C5 C4 H9 107.941 C5 O6 H12 108.904
O6 C5 H10 111.372 O6 C5 H11 107.044
N7 C4 H9 108.154 H10 C5 H11 107.807
H13 N7 H14 107.799

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