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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

HF/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.6717 -0.0721 0.0000   0.0669 -0.0271 -1.6717
S2 0.1005 -0.1239 0.0000   0.1149 -0.0465 0.1005
N3 0.5351 1.4818 0.0000   -1.3735 0.5559 0.5351
O4 0.5351 -0.6949 1.2624   0.1705 -1.4309 0.5351
O5 0.5351 -0.6949 -1.2624   1.1178 0.9095 0.5351
H6 -2.0060 -1.1060 0.0000   1.0252 -0.4149 -2.0060
H7 -1.9973 0.4428 0.8982   -0.7474 -0.6665 -1.9973
H8 -1.9973 0.4428 -0.8982   -0.0735 0.9987 -1.9973
H9 1.0573 1.6912 0.8303   -1.8792 -0.1352 1.0573
H10 1.0573 1.6912 -0.8303   -1.2561 1.4042 1.0573
Atom - Atom Distances (Å)
  C1 S2 N3 O4 O5 H6 H7 H8 H9 H10
C1 1.7729 2.6990 2.6175 2.6175 1.0866 1.0853 1.0853 3.3535 3.3535
S2 1.7729 1.6635 1.4521 1.4521 2.3242 2.3513 2.3513 2.2135 2.2135
N3 2.6990 1.6635 2.5163 2.5163 3.6268 2.8808 2.8808 1.0030 1.0030
O4 2.6175 1.4521 2.5163 2.5248 2.8670 2.8000 3.5179 2.4805 3.2164
O5 2.6175 1.4521 2.5163 2.5248 2.8670 3.5179 2.8000 3.2164 2.4805
H6 1.0866 2.3242 3.6268 2.8670 2.8670 1.7904 1.7904 4.2305 4.2305
H7 1.0853 2.3513 2.8808 2.8000 3.5179 1.7904 1.7964 3.3005 3.7251
H8 1.0853 2.3513 2.8808 3.5179 2.8000 1.7904 1.7964 3.7251 3.3005
H9 3.3535 2.2135 1.0030 2.4805 3.2164 4.2305 3.3005 3.7251 1.6606
H10 3.3535 2.2135 1.0030 3.2164 2.4805 4.2305 3.7251 3.3005 1.6606
Maximum atom distance is 4.2305Å 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 103.471 C1 S2 O4 108.100
C1 S2 O5 108.100 N3 S2 O4 107.538
N3 S2 O5 107.538 O4 S2 O5 120.770
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 H6 106.246 S2 C1 H7 108.285
S2 C1 H8 108.285 S2 N3 H9 109.729
S2 N3 H10 109.729 H6 C1 H7 111.045
H6 C1 H8 111.045 H7 C1 H8 111.703
H9 N3 H10 111.759

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