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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

B2PLYP/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.6671 -0.0558 0.0000   1.5085 -0.7097 -0.0558
S2 0.1106 -0.1345 0.0000   -0.1001 0.0471 -0.1345
N3 0.5274 1.4828 0.0000   -0.4772 0.2245 1.4828
O4 0.5274 -0.6951 1.2615   -1.0143 -0.9170 -0.6951
O5 0.5274 -0.6951 -1.2615   0.0598 1.3660 -0.6951
H6 -2.0263 -1.0844 0.0000   1.8335 -0.8627 -1.0844
H7 -1.9958 0.4644 0.8973   1.4239 -1.6616 0.4644
H8 -1.9958 0.4644 -0.8973   2.1880 -0.0377 0.4644
H9 1.0603 1.6921 0.8358   -1.3152 -0.3049 1.6921
H10 1.0603 1.6921 -0.8358   -0.6036 1.2076 1.6921
Atom - Atom Distances (Å)
  C1 S2 N3 O4 O5 H6 H7 H8 H9 H10
C1 1.7794 2.6801 2.6107 2.6107 1.0895 1.0881 1.0881 3.3455 3.3455
S2 1.7794 1.6701 1.4420 1.4420 2.3385 2.3666 2.3666 2.2219 2.2219
N3 2.6801 1.6701 2.5168 2.5168 3.6210 2.8652 2.8652 1.0131 1.0131
O4 2.6107 1.4420 2.5168 2.5230 2.8748 2.8007 3.5173 2.4827 3.2220
O5 2.6107 1.4420 2.5168 2.5230 2.8748 3.5173 2.8007 3.2220 2.4827
H6 1.0895 2.3385 3.6210 2.8748 2.8748 1.7902 1.7902 4.2349 4.2349
H7 1.0881 2.3666 2.8652 2.8007 3.5173 1.7902 1.7947 3.2941 3.7217
H8 1.0881 2.3666 2.8652 3.5173 2.8007 1.7902 1.7947 3.7217 3.2941
H9 3.3455 2.2219 1.0131 2.4827 3.2220 4.2349 3.2941 3.7217 1.6715
H10 3.3455 2.2219 1.0131 3.2220 2.4827 4.2349 3.7217 3.2941 1.6715
Maximum atom distance is 4.2349Å 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 101.920 C1 S2 O4 107.817
C1 S2 O5 107.817 N3 S2 O4 107.715
N3 S2 O5 107.715 O4 S2 O5 122.049
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 H6 106.720 S2 C1 H7 108.844
S2 C1 H8 108.844 S2 N3 H9 109.355
S2 N3 H10 109.355 H6 C1 H7 110.593
H6 C1 H8 110.593 H7 C1 H8 111.115
H9 N3 H10 111.175

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