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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 0.7089 -0.6146 -0.0563   -0.7085 0.6162 -0.0438
O2 2.0563 -0.4037 0.0193   -2.0556 0.4062 0.0392
O3 0.2100 -1.7253 0.1186   -0.2067 1.7240 0.1404
C4 -0.0557 0.6695 -0.3617   0.0520 -0.6652 -0.3700
C5 -1.4313 0.5856 0.3283   1.4329 -0.5913 0.3109
O6 -2.2065 -0.5136 -0.1877   2.2057 0.5128 -0.1979
N7 0.6423 1.8898 0.0203   -0.6448 -1.8891 0.0028
H8 2.5216 -1.2632 0.2031   -2.5183 1.2640 0.2365
H9 -0.2506 0.6805 -1.4402   0.2391 -0.6639 -1.4499
H10 -1.2758 0.5265 1.4170   1.2855 -0.5448 1.4013
H11 -1.9700 1.5059 0.1048   1.9686 -1.5096 0.0726
H12 -1.6598 -1.3337 -0.0388   1.6614 1.3318 -0.0353
H13 1.5240 2.0102 -0.4807   -1.5304 -2.0023 -0.4931
H14 0.8038 1.9425 1.0291   -0.7989 -1.9534 1.0121
Atom - Atom Distances (Å)
  C1 O2 O3 C4 C5 O6 N7 H8 H9 H10 H11 H12 H13 H14
C1 1.3659 1.2301 1.5254 2.4838 2.9201 2.5065 1.9426 2.1245 2.7225 3.4204 2.4756 2.7810 2.7796
O2 1.3659 2.2728 2.3995 3.6384 4.2692 2.6944 0.9945 2.9373 3.7313 4.4570 3.8312 2.5219 2.8449
O3 1.2301 2.2728 2.4568 2.8422 2.7205 3.6422 2.3589 2.9034 2.9940 3.8978 1.9169 4.0049 3.8255
C4 1.5254 2.3995 2.4568 1.5413 2.4609 1.4568 3.2705 1.0960 2.1617 2.1406 2.5866 2.0753 2.0721
C5 2.4838 3.6384 2.8422 1.5413 1.4406 2.4690 4.3657 2.1286 1.1013 1.0895 1.9674 3.3791 2.7070
O6 2.9201 4.2692 2.7205 2.4609 1.4406 3.7330 4.8030 2.6115 2.1267 2.0542 0.9968 4.5135 4.0712
N7 2.5065 2.6944 3.6422 1.4568 2.4690 3.7330 3.6751 2.0959 2.7366 2.6417 3.9616 1.0212 1.0230
H8 1.9426 0.9945 2.3589 3.2705 4.3657 4.8030 3.6751 3.7635 4.3700 5.2775 4.1890 3.4896 3.7296
H9 2.1245 2.9373 2.9034 1.0960 2.1286 2.6115 2.0959 3.7635 3.0395 2.4545 2.8297 2.4162 2.9668
H10 2.7225 3.7313 2.9940 2.1617 1.1013 2.1267 2.7366 4.3700 3.0395 1.7784 2.3931 3.6935 2.5457
H11 3.4204 4.4570 3.8978 2.1406 1.0895 2.0542 2.6417 5.2775 2.4545 1.7784 2.8601 3.5785 2.9561
H12 2.4756 3.8312 1.9169 2.5866 1.9674 0.9968 3.9616 4.1890 2.8297 2.3931 2.8601 4.6383 4.2359
H13 2.7810 2.5219 4.0049 2.0753 3.3791 4.5135 1.0212 3.4896 2.4162 3.6935 3.5785 4.6383 1.6742
H14 2.7796 2.8449 3.8255 2.0721 2.7070 4.0712 1.0230 3.7296 2.9668 2.5457 2.9561 4.2359 1.6742
Maximum atom distance is 5.2775Å 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 108.176 C1 C4 N7 114.364
O2 C1 O3 122.123 O2 C1 C4 112.057
O3 C1 C4 125.819 C4 C5 O6 111.184
C5 C4 N7 110.841
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H8 109.771 C1 C4 H9 107.141
C4 C5 H10 108.631 C4 C5 H11 107.666
C4 N7 H13 112.564 C4 N7 H14 112.168
C5 C4 H9 106.399 C5 O6 H12 106.213
O6 C5 H10 112.899 O6 C5 H11 107.758
N7 C4 H9 109.559 H10 C5 H11 108.539
H13 N7 H14 109.964

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