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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

wB97X-D/LANL2DZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5555 1.6637 0.0000   1.6123 0.0000 0.6907
S2 -0.0985 -0.1316 0.0000   -0.0328 0.0000 -0.1611
N3 1.6549 -0.0945 0.0000   -1.1706 0.0000 1.1737
O4 -0.5555 -0.7662 1.4200   -0.2032 1.4200 -0.9243
O5 -0.5555 -0.7662 -1.4200   -0.2032 -1.4200 -0.9243
H6 -1.6439 1.7013 0.0000   2.3638 0.0000 -0.0974
H7 -0.1345 2.1007 0.9029   1.6589 0.9029 1.2958
H8 -0.1345 2.1007 -0.9029   1.6589 -0.9029 1.2958
H9 2.0635 -0.4295 0.8670   -1.6924 0.8670 1.2562
H10 2.0635 -0.4295 -0.8670   -1.6924 -0.8670 1.2562
Atom - Atom Distances (Å)
  C1 S2 N3 O4 O5 H6 H7 H8 H9 H10
C1 1.8526 2.8245 2.8144 2.8144 1.0890 1.0879 1.0879 3.4630 3.4630
S2 1.8526 1.7538 1.6211 1.6211 2.3975 2.4083 2.4083 2.3483 2.3483
N3 2.8245 1.7538 2.7118 2.7118 3.7560 2.9726 2.9726 1.0153 1.0153
O4 2.8144 1.6211 2.7118 2.8401 3.0479 2.9435 3.7138 2.6978 3.4933
O5 2.8144 1.6211 2.7118 2.8401 3.0479 3.7138 2.9435 3.4933 2.6978
H6 1.0890 2.3975 3.7560 3.0479 3.0479 1.8037 1.8037 4.3631 4.3631
H7 1.0879 2.4083 2.9726 2.9435 3.7138 1.8037 1.8058 3.3518 3.7902
H8 1.0879 2.4083 2.9726 3.7138 2.9435 1.8037 1.8058 3.7902 3.3518
H9 3.4630 2.3483 1.0153 2.6978 3.4933 4.3631 3.3518 3.7902 1.7341
H10 3.4630 2.3483 1.0153 3.4933 2.6978 4.3631 3.7902 3.3518 1.7341
Maximum atom distance is 4.3631Å 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 103.071 C1 S2 O4 108.048
C1 S2 O5 108.048 N3 S2 O4 106.865
N3 S2 O5 106.865 O4 S2 O5 122.316
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 H6 106.262 S2 C1 H7 107.087
S2 C1 H8 107.087 S2 N3 H9 113.285
S2 N3 H10 113.285 H6 C1 H7 111.897
H6 C1 H8 111.897 H7 C1 H8 112.186
H9 N3 H10 117.289

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