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Geometry for CH3SO2NH2 (methanesulfonamide) 1A' CS

1910171554
InChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4) INChIKey=HNQIVZYLYMDVSB-UHFFFAOYSA-N

CCSD/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.6592 -0.0577 0.0000   1.5014 -0.7064 -0.0577
S2 0.1095 -0.1326 0.0000   -0.0991 0.0466 -0.1326
N3 0.5258 1.4733 0.0000   -0.4758 0.2238 1.4733
O4 0.5258 -0.6912 1.2534   -1.0094 -0.9104 -0.6912
O5 0.5258 -0.6912 -1.2534   0.0578 1.3580 -0.6912
H6 -2.0185 -1.0869 0.0000   1.8264 -0.8593 -1.0869
H7 -1.9901 0.4619 0.8975   1.4187 -1.6593 0.4619
H8 -1.9901 0.4619 -0.8975   2.1828 -0.0351 0.4619
H9 1.0547 1.6886 0.8355   -1.3100 -0.3070 1.6886
H10 1.0547 1.6886 -0.8355   -0.5987 1.2050 1.6886
Atom - Atom Distances (Å)
  C1 S2 N3 O4 O5 H6 H7 H8 H9 H10
C1 1.7703 2.6680 2.5974 2.5974 1.0900 1.0885 1.0885 3.3337 3.3337
S2 1.7703 1.6590 1.4340 1.4340 2.3321 2.3595 2.3595 2.2155 2.2155
N3 2.6680 1.6590 2.5012 2.5012 3.6094 2.8562 2.8562 1.0120 1.0120
O4 2.5974 1.4340 2.5012 2.5069 2.8637 2.7903 3.5051 2.4734 3.2105
O5 2.5974 1.4340 2.5012 2.5069 2.8637 3.5051 2.7903 3.2105 2.4734
H6 1.0900 2.3321 3.6094 2.8637 2.8637 1.7902 1.7902 4.2244 4.2244
H7 1.0885 2.3595 2.8562 2.7903 3.5051 1.7902 1.7949 3.2832 3.7119
H8 1.0885 2.3595 2.8562 3.5051 2.7903 1.7902 1.7949 3.7119 3.2832
H9 3.3337 2.2155 1.0120 2.4734 3.2105 4.2244 3.2832 3.7119 1.6710
H10 3.3337 2.2155 1.0120 3.2105 2.4734 4.2244 3.7119 3.2832 1.6710
Maximum atom distance is 4.2244Å between atoms H6 and H9.
picture of methanesulfonamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 S2 N3 102.108 C1 S2 O4 107.850
C1 S2 O5 107.850 N3 S2 O4 107.710
N3 S2 O5 107.710 O4 S2 O5 121.871
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 H6 106.817 S2 C1 H7 108.895
S2 C1 H8 108.895 S2 N3 H9 109.699
S2 N3 H10 109.699 H6 C1 H7 110.522
H6 C1 H8 110.522 H7 C1 H8 111.068
H9 N3 H10 111.297

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