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Geometry for C5H10 (Cyclopropane, 1,1-dimethyl-) 1A1 C2V

1910171554
InChI=1S/C5H10/c1-5(2)3-4-5/h3-4H2,1-2H3 INChIKey=PBIJFSCPEFQXBB-UHFFFAOYSA-N

mPW1PW91/aug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.1514   0.1514 0.0000 0.0000
C2 0.7553 0.0000 -1.1516   -1.1516 0.0000 0.7553
C3 -0.7553 0.0000 -1.1516   -1.1516 0.0000 -0.7553
C4 0.0000 1.2713 0.9678   0.9678 1.2713 0.0000
C5 0.0000 -1.2713 0.9678   0.9678 -1.2713 0.0000
H6 1.2635 0.9151 -1.4514   -1.4514 0.9151 1.2635
H7 1.2635 -0.9151 -1.4514   -1.4514 -0.9151 1.2635
H8 -1.2635 -0.9151 -1.4514   -1.4514 -0.9151 -1.2635
H9 -1.2635 0.9151 -1.4514   -1.4514 0.9151 -1.2635
H10 -0.8880 1.3231 1.6136   1.6136 1.3231 -0.8880
H11 -0.8880 -1.3231 1.6136   1.6136 -1.3231 -0.8880
H12 0.8880 -1.3231 1.6136   1.6136 -1.3231 0.8880
H13 0.8880 1.3231 1.6136   1.6136 1.3231 0.8880
H14 0.0000 2.1598 0.3244   0.3244 2.1598 0.0000
H15 0.0000 -2.1598 0.3244   0.3244 -2.1598 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15
C1 1.5061 1.5061 1.5109 1.5109 2.2367 2.2367 2.2367 2.2367 2.1627 2.1627 2.1627 2.1627 2.1667 2.1667
C2 1.5061 1.5107 2.5843 2.5843 1.0889 1.0889 2.2368 2.2368 3.4782 3.4782 3.0683 3.0683 2.7228 2.7228
C3 1.5061 1.5107 2.5843 2.5843 2.2368 2.2368 1.0889 1.0889 3.0683 3.0683 3.4782 3.4782 2.7228 2.7228
C4 1.5109 2.5843 2.5843 2.5426 2.7524 3.4971 3.4971 2.7524 1.0992 2.8171 2.8171 1.0992 1.0970 3.4909
C5 1.5109 2.5843 2.5843 2.5426 3.4971 2.7524 2.7524 3.4971 2.8171 1.0992 1.0992 2.8171 3.4909 1.0970
H6 2.2367 1.0889 2.2368 2.7524 3.4971 1.8303 3.1202 2.5270 3.7669 4.3627 3.8138 3.1147 2.5098 3.7689
H7 2.2367 1.0889 2.2368 3.4971 2.7524 1.8303 2.5270 3.1202 4.3627 3.7669 3.1147 3.8138 3.7689 2.5098
H8 2.2367 2.2368 1.0889 3.4971 2.7524 3.1202 2.5270 1.8303 3.8138 3.1147 3.7669 4.3627 3.7689 2.5098
H9 2.2367 2.2368 1.0889 2.7524 3.4971 2.5270 3.1202 1.8303 3.1147 3.8138 4.3627 3.7669 2.5098 3.7689
H10 2.1627 3.4782 3.0683 1.0992 2.8171 3.7669 4.3627 3.8138 3.1147 2.6461 3.1869 1.7761 1.7750 3.8185
H11 2.1627 3.4782 3.0683 2.8171 1.0992 4.3627 3.7669 3.1147 3.8138 2.6461 1.7761 3.1869 3.8185 1.7750
H12 2.1627 3.0683 3.4782 2.8171 1.0992 3.8138 3.1147 3.7669 4.3627 3.1869 1.7761 2.6461 3.8185 1.7750
H13 2.1627 3.0683 3.4782 1.0992 2.8171 3.1147 3.8138 4.3627 3.7669 1.7761 3.1869 2.6461 1.7750 3.8185
H14 2.1667 2.7228 2.7228 1.0970 3.4909 2.5098 3.7689 3.7689 2.5098 1.7750 3.8185 3.8185 1.7750 4.3195
H15 2.1667 2.7228 2.7228 3.4909 1.0970 3.7689 2.5098 2.5098 3.7689 3.8185 1.7750 1.7750 3.8185 4.3195
Maximum atom distance is 4.3627Å between atoms H6 and H11.
picture of Cyclopropane, 1,1-dimethyl-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 59.900 C1 C3 C2 59.900
C2 C1 C3 60.200 C2 C1 C4 117.872
C2 C1 C5 117.872 C3 C1 C4 117.872
C3 C1 C5 117.872 C4 C1 C5 114.584
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 118.180 C1 C2 H7 118.180
C1 C3 H8 118.180 C1 C3 H9 118.180
C1 C4 H10 110.920 C1 C4 H13 110.920
C1 C4 H14 111.379 C1 C5 H11 110.920
C1 C5 H12 110.920 C1 C5 H15 111.379
C2 C3 H8 117.821 C2 C3 H9 117.821
C3 C2 H6 117.821 C3 C2 H7 117.821
H6 C2 H7 114.379 H8 C3 H9 114.379
H10 C4 H13 107.777 H10 C4 H14 107.846
H11 C5 H12 107.777 H11 C5 H15 107.846
H12 C5 H15 107.846 H13 C4 H14 107.846

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