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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

M06-2X/3-21G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7010 -0.5861 0.0048   -0.6994 0.5877 0.0168
O2 2.0228 -0.4930 -0.3185   -2.0238 0.5016 -0.2980
O3 0.1946 -1.5738 0.5223   -0.1868 1.5681 0.5420
C4 -0.0367 0.7004 -0.3287   0.0325 -0.6966 -0.3370
C5 -1.4617 0.5530 0.1926   1.4616 -0.5587 0.1755
O6 -2.0921 -0.6021 -0.3760   2.0908 0.6013 -0.3843
N7 0.6018 1.9090 0.2112   -0.6050 -1.9099 0.1935
H8 2.5162 -1.3233 -0.0979   -2.5135 1.3305 -0.0641
H9 -0.0681 0.7782 -1.4205   0.0558 -0.7618 -1.4299
H10 -1.4172 0.5137 1.2923   1.4253 -0.5321 1.2758
H11 -2.0171 1.4470 -0.0917   2.0128 -1.4507 -0.1233
H12 -1.6529 -1.4089 -0.0129   1.6563 1.4049 -0.0087
H13 1.5139 2.0934 -0.2147   -1.5207 -2.0871 -0.2278
H14 0.6946 1.8845 1.2316   -0.6904 -1.8970 1.2147
Atom - Atom Distances (Å)
  C1 O2 O3 C4 C5 O6 N7 H8 H9 H10 H11 H12 H13 H14
C1 1.3640 1.2246 1.5201 2.4515 2.8189 2.5057 1.9619 2.1177 2.7118 3.3957 2.4936 2.8087 2.7585
O2 1.3640 2.2842 2.3803 3.6738 4.1167 2.8407 0.9907 2.6837 3.9296 4.4873 3.8004 2.6380 3.1336
O3 1.2246 2.2842 2.4392 2.7157 2.6419 3.5204 2.4161 3.0619 2.7474 3.7939 1.9305 3.9664 3.5656
C4 1.5201 2.3803 2.4392 1.5245 2.4338 1.4697 3.2659 1.0950 2.1373 2.1297 2.6760 2.0875 2.0908
C5 2.4515 3.6738 2.7157 1.5245 1.4335 2.4692 4.4078 2.1436 1.1012 1.0902 1.9818 3.3753 2.7390
O6 2.8189 4.1167 2.6419 2.4338 1.4335 3.7293 4.6727 2.6632 2.1174 2.0700 0.9877 4.5049 4.0661
N7 2.5057 2.8407 3.5204 1.4697 2.4692 3.7293 3.7694 2.0952 2.6817 2.6766 4.0178 1.0234 1.0248
H8 1.9619 0.9907 2.4161 3.2659 4.4078 4.6727 3.7694 3.5839 4.5584 5.3128 4.1708 3.5626 3.9212
H9 2.1177 2.6837 3.0619 1.0950 2.1436 2.6632 2.0952 3.5839 3.0412 2.4518 3.0457 2.3846 2.9731
H10 2.7118 3.9296 2.7474 2.1373 1.1012 2.1174 2.6817 4.5584 3.0412 1.7738 2.3357 3.6548 2.5184
H11 3.3957 4.4873 3.7939 2.1297 1.0902 2.0700 2.6766 5.3128 2.4518 1.7738 2.8801 3.5918 3.0490
H12 2.4936 3.8004 1.9305 2.6760 1.9818 0.9877 4.0178 4.1708 3.0457 2.3357 2.8801 4.7260 4.2316
H13 2.8087 2.6380 3.9664 2.0875 3.3753 4.5049 1.0234 3.5626 2.3846 3.6548 3.5918 4.7260 1.6752
H14 2.7585 3.1336 3.5656 2.0908 2.7390 4.0661 1.0248 3.9212 2.9731 2.5184 3.0490 4.2316 1.6752
Maximum atom distance is 5.3128Å 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 107.261 C1 C4 N7 113.867
O2 C1 O3 123.779 O2 C1 C4 111.129
O3 C1 C4 125.075 C4 C5 O6 110.692
C5 C4 N7 111.100
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H8 111.876 C1 C4 H9 107.027
C4 C5 H10 107.886 C4 C5 H11 107.922
C4 N7 H13 112.486 C4 N7 H14 112.672
C5 C4 H9 108.724 C5 O6 H12 108.472
O6 C5 H10 112.652 O6 C5 H11 109.463
N7 C4 H9 108.682 H10 C5 H11 108.076
H13 N7 H14 109.750

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