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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

B3LYP/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.6826 -0.0656 0.0000   -1.5432 0.0000 0.6740
S2 0.1076 -0.1322 0.0000   0.0393 0.0000 -0.1659
N3 0.5349 1.4961 0.0000   1.1331 0.0000 1.1137
O4 0.5349 -0.7001 1.2681   0.1765 1.2681 -0.8632
O5 0.5349 -0.7001 -1.2681   0.1765 -1.2681 -0.8632
H6 -2.0270 -1.0969 0.0000   -2.3024 0.0000 -0.1044
H7 -2.0092 0.4518 0.8973   -1.6118 0.8973 1.2819
H8 -2.0092 0.4518 -0.8973   -1.6118 -0.8973 1.2819
H9 1.0590 1.7153 0.8380   1.7005 0.8380 1.0827
H10 1.0590 1.7153 -0.8380   1.7005 -0.8380 1.0827
Atom - Atom Distances (Å)
  C1 S2 N3 O4 O5 H6 H7 H8 H9 H10
C1 1.7915 2.7122 2.6321 2.6321 1.0873 1.0860 1.0860 3.3750 3.3750
S2 1.7915 1.6834 1.4537 1.4537 2.3424 2.3721 2.3721 2.2407 2.2407
N3 2.7122 1.6834 2.5360 2.5360 3.6450 2.8927 2.8927 1.0125 1.0125
O4 2.6321 1.4537 2.5360 2.5362 2.8859 2.8172 3.5338 2.5088 3.2473
O5 2.6321 1.4537 2.5360 2.5362 2.8859 3.5338 2.8172 3.2473 2.5088
H6 1.0873 2.3424 3.6450 2.8859 2.8859 1.7899 1.7899 4.2584 4.2584
H7 1.0860 2.3721 2.8927 2.8172 3.5338 1.7899 1.7945 3.3188 3.7446
H8 1.0860 2.3721 2.8927 3.5338 2.8172 1.7899 1.7945 3.7446 3.3188
H9 3.3750 2.2407 1.0125 2.5088 3.2473 4.2584 3.3188 3.7446 1.6761
H10 3.3750 2.2407 1.0125 3.2473 2.5088 4.2584 3.7446 3.3188 1.6761
Maximum atom distance is 4.2584Å 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 102.572 C1 S2 O4 107.953
C1 S2 O5 107.953 N3 S2 O4 107.654
N3 S2 O5 107.654 O4 S2 O5 121.466
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 H6 106.332 S2 C1 H7 108.555
S2 C1 H8 108.555 S2 N3 H9 109.929
S2 N3 H10 109.929 H6 C1 H7 110.892
H6 C1 H8 110.892 H7 C1 H8 111.427
H9 N3 H10 111.725

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