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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

PBEPBEultrafine/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.6920 -0.0400 0.0000   -1.5402 0.0000 0.7016
S2 0.1105 -0.1425 0.0000   0.0373 0.0000 -0.1765
N3 0.5343 1.5242 0.0000   1.1453 0.0000 1.1388
O4 0.5343 -0.7162 1.2955   0.1687 1.2955 -0.8775
O5 0.5343 -0.7162 -1.2955   0.1687 -1.2955 -0.8775
H6 -2.0712 -1.0729 0.0000   -2.3317 0.0000 -0.0627
H7 -2.0184 0.4908 0.9052   -1.6025 0.9052 1.3216
H8 -2.0184 0.4908 -0.9052   -1.6025 -0.9052 1.3216
H9 1.1011 1.7009 0.8383   1.7324 0.8383 1.0508
H10 1.1011 1.7009 -0.8383   1.7324 -0.8383 1.0508
Atom - Atom Distances (Å)
  C1 S2 N3 O4 O5 H6 H7 H8 H9 H10
C1 1.8054 2.7208 2.6631 2.6631 1.1003 1.0989 1.0989 3.3963 3.3963
S2 1.8054 1.7198 1.4788 1.4788 2.3718 2.3985 2.3985 2.2544 2.2544
N3 2.7208 1.7198 2.5880 2.5880 3.6787 2.8989 2.8989 1.0273 1.0273
O4 2.6631 1.4788 2.5880 2.5910 2.9316 2.8505 3.5800 2.5244 3.2737
O5 2.6631 1.4788 2.5880 2.5910 2.9316 3.5800 2.8505 3.2737 2.5244
H6 1.1003 2.3718 3.6787 2.9316 2.9316 1.8075 1.8075 4.2965 4.2965
H7 1.0989 2.3985 2.8989 2.8505 3.5800 1.8075 1.8103 3.3466 3.7729
H8 1.0989 2.3985 2.8989 3.5800 2.8505 1.8075 1.8103 3.7729 3.3466
H9 3.3963 2.2544 1.0273 2.5244 3.2737 4.2965 3.3466 3.7729 1.6767
H10 3.3963 2.2544 1.0273 3.2737 2.5244 4.2965 3.7729 3.3466 1.6767
Maximum atom distance is 4.2965Å 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 101.010 C1 S2 O4 107.947
C1 S2 O5 107.947 N3 S2 O4 107.778
N3 S2 O5 107.778 O4 S2 O5 122.331
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 H6 106.904 S2 C1 H7 108.904
S2 C1 H8 108.904 S2 N3 H9 107.621
S2 N3 H10 107.621 H6 C1 H7 110.554
H6 C1 H8 110.554 H7 C1 H8 110.908
H9 N3 H10 109.391

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