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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/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7754 -0.5372 0.0036   -0.7747 -0.5382 -0.0046
O2 2.0480 -0.3367 -0.3524   -2.0446 -0.3444 0.3645
O3 0.4029 -1.5505 0.5339   -0.4052 -1.5436 -0.5517
C4 -0.0914 0.6687 -0.3110   0.0931 0.6645 0.3194
C5 -1.5087 0.4438 0.1906   1.5065 0.4485 -0.1969
O6 -2.0939 -0.6946 -0.3768   2.0979 -0.6967 0.3502
N7 0.4341 1.9094 0.2235   -0.4384 1.9117 -0.1939
H8 2.5448 -1.1300 -0.1223   -2.5422 -1.1351 0.1276
H9 -0.1267 0.7532 -1.3960   0.1371 0.7343 1.4050
H10 -1.5021 0.3933 1.2821   1.4910 0.4129 -1.2889
H11 -2.1041 1.3022 -0.0995   2.1031 1.3037 0.1001
H12 -1.6465 -1.4581 -0.0065   1.6484 -1.4557 -0.0268
H13 1.3301 2.1273 -0.1820   -1.3313 2.1227 0.2219
H14 0.5579 1.8487 1.2228   -0.5704 1.8644 -1.1929
Atom - Atom Distances (Å)
  C1 O2 O3 C4 C5 O6 N7 H8 H9 H10 H11 H12 H13 H14
C1 1.3366 1.2028 1.5180 2.4928 2.8987 2.4801 1.8703 2.1066 2.7726 3.4184 2.5911 2.7279 2.6882
O2 1.3366 2.2283 2.3643 3.6816 4.1575 2.8252 0.9638 2.6469 3.9759 4.4710 3.8765 2.5721 3.0786
O3 1.2028 2.2283 2.4255 2.7837 2.7922 3.4740 2.2792 3.0516 2.8226 3.8502 2.1215 3.8599 3.4718
C4 1.5180 2.3643 2.4255 1.5201 2.4234 1.4496 3.1969 1.0888 2.1457 2.1206 2.6522 2.0408 2.0413
C5 2.4928 3.6816 2.7837 1.5201 1.4001 2.4338 4.3594 2.1267 1.0927 1.0843 1.9170 3.3214 2.7037
O6 2.8987 4.1575 2.7922 2.4234 1.4001 3.6786 4.6660 2.6467 2.0703 2.0160 0.9593 4.4412 4.0074
N7 2.4801 2.8252 3.4740 1.4496 2.4338 3.6786 3.7165 2.0674 2.6773 2.6297 3.9651 1.0073 1.0088
H8 1.8703 0.9638 2.2792 3.1969 4.3594 4.6660 3.7165 3.5079 4.5464 5.2467 4.2057 3.4769 3.8248
H9 2.1066 2.6469 3.0516 1.0888 2.1267 2.6467 2.0674 3.5079 3.0321 2.4274 3.0217 2.3418 2.9201
H10 2.7726 3.9759 2.8226 2.1457 1.0927 2.0703 2.6773 4.5464 3.0321 1.7599 2.2604 3.6292 2.5230
H11 3.4184 4.4710 3.8502 2.1206 1.0843 2.0160 2.6297 5.2467 2.4274 1.7599 2.7995 3.5328 3.0222
H12 2.5911 3.8765 2.1215 2.6522 1.9170 0.9593 3.9651 4.2057 3.0217 2.2604 2.7995 4.6633 4.1601
H13 2.7279 2.5721 3.8599 2.0408 3.3214 4.4412 1.0073 3.4769 2.3418 3.6292 3.5328 4.6633 1.6271
H14 2.6882 3.0786 3.4718 2.0413 2.7037 4.0074 1.0088 3.8248 2.9201 2.5230 3.0222 4.1601 1.6271
Maximum atom distance is 5.2467Å 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 110.271 C1 C4 N7 113.359
O2 C1 O3 122.592 O2 C1 C4 111.674
O3 C1 C4 125.714 C4 C5 O6 112.103
C5 C4 N7 110.056
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H8 107.677 C1 C4 H9 106.660
C4 C5 H10 109.320 C4 C5 H11 107.850
C4 N7 H13 111.048 C4 N7 H14 110.994
C5 C4 H9 108.067 C5 O6 H12 107.200
O6 C5 H10 111.706 O6 C5 H11 107.800
N7 C4 H9 108.221 H10 C5 H11 107.887
H13 N7 H14 107.614

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