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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

MP3=FULL/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.6614 -0.0627 0.0000   -1.5225 0.0000 0.6680
S2 0.1088 -0.1343 0.0000   0.0394 0.0000 -0.1684
N3 0.5272 1.4784 0.0000   1.1191 0.0000 1.1006
O4 0.5272 -0.6906 1.2590   0.1733 1.2590 -0.8514
O5 0.5272 -0.6906 -1.2590   0.1733 -1.2590 -0.8514
H6 -2.0188 -1.0922 0.0000   -2.2930 0.0000 -0.1026
H7 -1.9896 0.4568 0.8983   -1.5914 0.8983 1.2786
H8 -1.9896 0.4568 -0.8983   -1.5914 -0.8983 1.2786
H9 1.0497 1.7027 0.8349   1.6871 0.8349 1.0746
H10 1.0497 1.7027 -0.8349   1.6871 -0.8349 1.0746
Atom - Atom Distances (Å)
  C1 S2 N3 O4 O5 H6 H7 H8 H9 H10
C1 1.7717 2.6767 2.6018 2.6018 1.0898 1.0883 1.0883 3.3412 3.3412
S2 1.7717 1.6661 1.4386 1.4386 2.3333 2.3579 2.3579 2.2264 2.2264
N3 2.6767 1.6661 2.5080 2.5080 3.6180 2.8609 2.8609 1.0102 1.0102
O4 2.6018 1.4386 2.5080 2.5179 2.8685 2.7894 3.5078 2.4861 3.2226
O5 2.6018 1.4386 2.5080 2.5179 2.8685 3.5078 2.7894 3.2226 2.4861
H6 1.0898 2.3333 3.6180 2.8685 2.8685 1.7908 1.7908 4.2337 4.2337
H7 1.0883 2.3579 2.8609 2.7894 3.5078 1.7908 1.7966 3.2854 3.7140
H8 1.0883 2.3579 2.8609 3.5078 2.7894 1.7908 1.7966 3.7140 3.2854
H9 3.3412 2.2264 1.0102 2.4861 3.2226 4.2337 3.2854 3.7140 1.6698
H10 3.3412 2.2264 1.0102 3.2226 2.4861 4.2337 3.7140 3.2854 1.6698
Maximum atom distance is 4.2337Å 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 102.223 C1 S2 O4 107.831
C1 S2 O5 107.831 N3 S2 O4 107.536
N3 S2 O5 107.536 O4 S2 O5 122.126
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 H6 106.827 S2 C1 H7 108.700
S2 C1 H8 108.700 S2 N3 H9 110.167
S2 N3 H10 110.167 H6 C1 H7 110.609
H6 C1 H8 110.609 H7 C1 H8 111.256
H9 N3 H10 111.485

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