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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

CID/3-21G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7290 -0.5771 0.0067   -0.7285 0.5775 0.0195
O2 2.0451 -0.4445 -0.3270   -2.0472 0.4500 -0.3057
O3 0.2660 -1.5820 0.5226   -0.2607 1.5756 0.5441
C4 -0.0523 0.6872 -0.3240   0.0493 -0.6832 -0.3329
C5 -1.4823 0.5282 0.1933   1.4834 -0.5316 0.1753
O6 -2.1211 -0.6284 -0.3724   2.1186 0.6314 -0.3811
N7 0.5595 1.9153 0.2134   -0.5594 -1.9173 0.1941
H8 2.5657 -1.2487 -0.1163   -2.5655 1.2519 -0.0809
H9 -0.0870 0.7637 -1.4111   0.0754 -0.7463 -1.4211
H10 -1.4478 0.4962 1.2888   1.4574 -0.5131 1.2713
H11 -2.0392 1.4139 -0.0976   2.0372 -1.4141 -0.1309
H12 -1.7073 -1.4372 -0.0132   1.7083 1.4360 -0.0087
H13 1.4590 2.1194 -0.2115   -1.4623 -2.1156 -0.2263
H14 0.6530 1.8957 1.2261   -0.6450 -1.9103 1.2077
Atom - Atom Distances (Å)
  C1 O2 O3 C4 C5 O6 N7 H8 H9 H10 H11 H12 H13 H14
C1 1.3642 1.2207 1.5227 2.4792 2.8757 2.5067 1.9595 2.1152 2.7449 3.4115 2.5838 2.8021 2.7582
O2 1.3642 2.2761 2.3833 3.6959 4.1705 2.8403 0.9809 2.6797 3.9619 4.4931 3.8941 2.6326 3.1348
O3 1.2207 2.2761 2.4428 2.7601 2.7218 3.5231 2.4099 3.0604 2.8006 3.8307 2.0499 3.9576 3.5692
C4 1.5227 2.3833 2.4428 1.5290 2.4521 1.4735 3.2627 1.0903 2.1413 2.1276 2.7108 2.0852 2.0883
C5 2.4792 3.6959 2.7601 1.5290 1.4373 2.4685 4.4317 2.1393 1.0965 1.0859 1.9890 3.3686 2.7380
O6 2.8757 4.1705 2.7218 2.4521 1.4373 3.7415 4.7346 2.6748 2.1161 2.0623 0.9769 4.5159 4.0770
N7 2.5067 2.8403 3.5231 1.4735 2.4685 3.7415 3.7609 2.0936 2.6832 2.6649 4.0533 1.0155 1.0172
H8 1.9595 0.9809 2.4099 3.2627 4.4317 4.7346 3.7609 3.5725 4.5965 5.3193 4.2784 3.5466 3.9177
H9 2.1152 2.6797 3.0604 1.0903 2.1393 2.6748 2.0936 3.5725 3.0353 2.4411 3.0698 2.3805 2.9638
H10 2.7449 3.9619 2.8006 2.1413 1.0965 2.1161 2.6832 4.5965 3.0353 1.7647 2.3454 3.6518 2.5251
H11 3.4115 4.4931 3.8307 2.1276 1.0859 2.0623 2.6649 5.3193 2.4411 1.7647 2.8716 3.5704 3.0384
H12 2.5838 3.8941 2.0499 2.7108 1.9890 0.9769 4.0533 4.2784 3.0698 2.3454 2.8716 4.7660 4.2679
H13 2.8021 2.6326 3.9576 2.0852 3.3686 4.5159 1.0155 3.5466 2.3805 3.6518 3.5704 4.7660 1.6633
H14 2.7582 3.1348 3.5692 2.0883 2.7380 4.0770 1.0172 3.9177 2.9638 2.5251 3.0384 4.2679 1.6633
Maximum atom distance is 5.3193Å 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 108.666 C1 C4 N7 113.559
O2 C1 O3 123.320 O2 C1 C4 111.173
O3 C1 C4 125.498 C4 C5 O6 111.480
C5 C4 N7 110.589
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H8 112.319 C1 C4 H9 106.923
C4 C5 H10 108.159 C4 C5 H11 107.702
C4 N7 H13 112.503 C4 N7 H14 112.661
C5 C4 H9 108.359 C5 O6 H12 109.468
O6 C5 H10 112.568 O6 C5 H11 108.846
N7 C4 H9 108.566 H10 C5 H11 107.912
H13 N7 H14 109.823

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