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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

CCD/cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7919 -0.5275 0.0169   -0.7914 0.5277 0.0298
O2 2.0533 -0.3280 -0.3905   -2.0561 0.3342 -0.3702
O3 0.4376 -1.5306 0.5784   -0.4320 1.5234 0.6013
C4 -0.0964 0.6660 -0.3077   0.0936 -0.6621 -0.3169
C5 -1.5140 0.4164 0.1922   1.5152 -0.4196 0.1751
O6 -2.1021 -0.7140 -0.3984   2.0994 0.7178 -0.4057
N7 0.4016 1.9233 0.2293   -0.4011 -1.9258 0.2079
H8 2.5519 -1.1166 -0.1554   -2.5522 1.1200 -0.1212
H9 -0.1299 0.7457 -1.3955   0.1185 -0.7280 -1.4059
H10 -1.4994 0.3449 1.2852   1.5092 -0.3620 1.2690
H11 -2.1157 1.2810 -0.0764   2.1142 -1.2811 -0.1092
H12 -1.6369 -1.4773 -0.0548   1.6374 1.4770 -0.0488
H13 1.3022 2.1493 -0.1639   -1.3049 -2.1463 -0.1810
H14 0.5176 1.8618 1.2308   -0.5092 -1.8770 1.2111
Atom - Atom Distances (Å)
  C1 O2 O3 C4 C5 O6 N7 H8 H9 H10 H11 H12 H13 H14
C1 1.3405 1.2030 1.5228 2.4977 2.9295 2.4907 1.8640 2.1132 2.7604 3.4254 2.6089 2.7310 2.6940
O2 1.3405 2.2351 2.3699 3.6904 4.1732 2.8602 0.9621 2.6324 3.9853 4.4797 3.8795 2.5986 3.1277
O3 1.2030 2.2351 2.4281 2.7836 2.8410 3.4717 2.2760 3.0660 2.7873 3.8540 2.1696 3.8523 3.4555
C4 1.5228 2.3699 2.4281 1.5237 2.4362 1.4550 3.1960 1.0913 2.1468 2.1235 2.6516 2.0438 2.0430
C5 2.4977 3.6904 2.7836 1.5237 1.4044 2.4376 4.3591 2.1319 1.0954 1.0871 1.9137 3.3258 2.7010
O6 2.9295 4.1732 2.8410 2.4362 1.4044 3.6902 4.6776 2.6484 2.0782 2.0208 0.9577 4.4545 4.0189
N7 2.4907 2.8602 3.4717 1.4550 2.4376 3.6902 3.7434 2.0759 2.6871 2.6159 3.9750 1.0084 1.0101
H8 1.8640 0.9621 2.2760 3.1960 4.3591 4.6776 3.7434 3.4926 4.5414 5.2479 4.2054 3.4969 3.8640
H9 2.1132 2.6324 3.0660 1.0913 2.1319 2.6484 2.0759 3.4926 3.0369 2.4433 3.0017 2.3533 2.9262
H10 2.7604 3.9853 2.7873 2.1468 1.0954 2.0782 2.6871 4.5414 3.0369 1.7635 2.2660 3.6339 2.5243
H11 3.4254 4.4797 3.8540 2.1235 1.0871 2.0208 2.6159 5.2479 2.4433 1.7635 2.7996 3.5276 2.9967
H12 2.6089 3.8795 2.1696 2.6516 1.9137 0.9577 3.9750 4.2054 3.0017 2.2660 2.7996 4.6693 4.1766
H13 2.7310 2.5986 3.8523 2.0438 3.3258 4.4545 1.0084 3.4969 2.3533 3.6339 3.5276 4.6693 1.6259
H14 2.6940 3.1277 3.4555 2.0430 2.7010 4.0189 1.0101 3.8640 2.9262 2.5243 2.9967 4.1766 1.6259
Maximum atom distance is 5.2479Å 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 110.143 C1 C4 N7 113.512
O2 C1 O3 122.892 O2 C1 C4 111.565
O3 C1 C4 125.540 C4 C5 O6 112.547
C5 C4 N7 109.812
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H8 106.944 C1 C4 H9 106.715
C4 C5 H10 109.006 C4 C5 H11 107.670
C4 N7 H13 110.825 C4 N7 H14 110.642
C5 C4 H9 108.087 C5 O6 H12 106.691
O6 C5 H10 111.881 O6 C5 H11 107.726
N7 C4 H9 108.377 H10 C5 H11 107.808
H13 N7 H14 107.318

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