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Geometry for (Methylenecyclopropane) 1A1 C2V

1910171554
InChI=1S/C4H6/c1-4-2-3-4/h1-3H2 INChIKey=XSGHLZBESSREDT-UHFFFAOYSA-N

HSEh1PBE/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.6288   1.6288 0.0000 0.0000
C2 0.0000 0.0000 0.3146   0.3146 0.0000 0.0000
H3 0.0000 0.9265 2.1912   2.1912 0.9265 0.0000
H4 0.0000 -0.9265 2.1912   2.1912 -0.9265 0.0000
C5 0.0000 0.7640 -0.9273   -0.9273 0.7640 0.0000
C6 0.0000 -0.7640 -0.9273   -0.9273 -0.7640 0.0000
H7 0.9112 1.2684 -1.2288   -1.2288 1.2684 0.9112
H8 -0.9112 1.2684 -1.2288   -1.2288 1.2684 -0.9112
H9 -0.9112 -1.2684 -1.2288   -1.2288 -1.2684 -0.9112
H10 0.9112 -1.2684 -1.2288   -1.2288 -1.2684 0.9112
Atom - Atom Distances (Å)
  C1 C2 H3 H4 C5 C6 H7 H8 H9 H10
C1 1.3141 1.0839 1.0839 2.6678 2.6678 3.2565 3.2565 3.2565 3.2565
C2 1.3141 2.0928 2.0928 1.4581 1.4581 2.1957 2.1957 2.1957 2.1957
H3 1.0839 2.0928 1.8530 3.1227 3.5473 3.5558 3.5558 4.1646 4.1646
H4 1.0839 2.0928 1.8530 3.5473 3.1227 4.1646 4.1646 3.5558 3.5558
C5 2.6678 1.4581 3.1227 3.5473 1.5281 1.0842 1.0842 2.2477 2.2477
C6 2.6678 1.4581 3.5473 3.1227 1.5281 2.2477 2.2477 1.0842 1.0842
H7 3.2565 2.1957 3.5558 4.1646 1.0842 2.2477 1.8224 3.1236 2.5368
H8 3.2565 2.1957 3.5558 4.1646 1.0842 2.2477 1.8224 2.5368 3.1236
H9 3.2565 2.1957 4.1646 3.5558 2.2477 1.0842 3.1236 2.5368 1.8224
H10 3.2565 2.1957 4.1646 3.5558 2.2477 1.0842 2.5368 3.1236 1.8224
Maximum atom distance is 4.1646Å between atoms H3 and H9.
picture of Methylenecyclopropane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C5 148.401 C1 C2 C6 148.401
C2 C5 C6 58.401 C2 C6 C5 58.401
C5 C2 C6 63.199
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H3 121.260 C2 C1 H4 121.260
C2 C5 H7 118.723 C2 C5 H8 118.723
C2 C6 H9 118.723 C2 C6 H10 118.723
H3 C1 H4 117.480 C5 C6 H9 117.723
C5 C6 H10 117.723 C6 C5 H7 117.723
C6 C5 H8 117.723 H7 C5 H8 114.366
H9 C6 H10 114.366

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