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Geometry for CHClCHCH2CH3 ((Z)-1-Chloro-1-butene) 1A' CS

1910171554
InChI=1S/C4H7Cl/c1-2-3-4-5/h3-4H,2H2,1H3/b4-3- INChIKey=DUDKKPVINWLFBI-ARJAWSKDSA-N

BLYP/cc-pVTZ


Point group is not available
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.9426 -1.7254 0.0000   -0.4737 2.5547 0.0000
H2 2.4672 -2.6879 0.0000   -1.0269 3.5011 0.0000
H3 2.2692 -1.1689 0.8874   0.1714 2.5468 0.8874
H4 2.2692 -1.1689 -0.8874   0.1714 2.5468 -0.8874
C5 0.4215 -1.9472 0.0000   -1.4495 1.3668 0.0000
H6 0.1394 -2.5581 -0.8730   -2.1183 1.4409 -0.8730
H7 0.1394 -2.5581 0.8730   -2.1183 1.4409 0.8730
C8 0.0000 0.5482 0.0000   0.4694 -0.2832 0.0000
Cl9 -1.0774 1.9513 0.0000   1.1142 -1.9305 0.0000
H10 1.0433 0.8427 0.0000   1.2605 0.4579 0.0000
C11 -0.4457 -0.7078 0.0000   -0.8363 -0.0160 0.0000
H12 -1.5228 -0.8787 0.0000   -1.5390 -0.8499 0.0000
Atom - Atom Distances (Å)
  C1 H2 H3 H4 C5 H6 H7 C8 Cl9 H10 C11 H12
C1 1.0963 1.0972 1.0972 1.5372 2.1696 2.1696 2.9904 4.7579 2.7210 2.5961 3.5674
H2 1.0963 1.7704 1.7704 2.1757 2.4895 2.4895 4.0694 5.8384 3.8070 3.5222 4.3811
H3 1.0972 1.7704 1.7749 2.1926 3.0927 2.5429 2.9808 4.6608 2.5174 2.8933 3.9053
H4 1.0972 1.7704 1.7749 2.1926 2.5429 3.0927 2.9808 4.6608 2.5174 2.8933 3.9053
C5 1.5372 2.1757 2.1926 2.1926 1.1022 1.1022 2.5307 4.1767 2.8584 1.5126 2.2185
H6 2.1696 2.4895 3.0927 2.5429 1.1022 1.7460 3.2296 4.7515 3.6256 2.1279 2.5190
H7 2.1696 2.4895 2.5429 3.0927 1.1022 1.7460 3.2296 4.7515 3.6256 2.1279 2.5190
C8 2.9904 4.0694 2.9808 2.9808 2.5307 3.2296 3.2296 1.7690 1.0841 1.3327 2.0868
Cl9 4.7579 5.8384 4.6608 4.6608 4.1767 4.7515 4.7515 1.7690 2.3929 2.7331 2.8648
H10 2.7210 3.8070 2.5174 2.5174 2.8584 3.6256 3.6256 1.0841 2.3929 2.1498 3.0900
C11 2.5961 3.5222 2.8933 2.8933 1.5126 2.1279 2.1279 1.3327 2.7331 2.1498 1.0905
H12 3.5674 4.3811 3.9053 3.9053 2.2185 2.5190 2.5190 2.0868 2.8648 3.0900 1.0905
Maximum atom distance is 5.8384Å between atoms H2 and Cl9.
picture of (Z)-1-Chloro-1-butene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 C11 116.685 C5 C11 C8 125.478
Cl9 C8 C11 122.942
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 H6 109.464 C1 C5 H7 109.464
H2 C1 H3 107.631 H2 C1 H4 107.631
H2 C1 C5 110.292 H3 C1 H4 107.962
H3 C1 C5 111.576 H4 C1 C5 111.576
C5 C11 H12 115.968 H6 C5 H7 104.749
H6 C5 C11 107.903 H7 C5 C11 107.903
C8 C11 H12 118.553 Cl9 C8 H10 111.752
H10 C8 C11 125.306

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