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Geometry for C2H3OC2H5 (Ethene, ethoxy-) 1A C1

1910171554
InChI=1S/C4H8O/c1-3-5-4-2/h3H,1,4H2,2H3 INChIKey=FJKIXWOMBXYWOQ-UHFFFAOYSA-N

CISD/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -2.4213 -0.2903 0.0749   2.4207 -0.2934 0.0813
H2 -2.4518 -1.3540 0.2514   2.4490 -1.3509 0.2918
H3 -3.3523 0.2502 0.0285   3.3528 0.2433 0.0166
C4 -1.2747 0.3457 -0.0999   1.2754 0.3394 -0.1125
H5 -1.2269 1.4147 -0.2767   1.2298 1.4022 -0.3234
O6 -0.0793 -0.2988 -0.1097   0.0785 -0.3024 -0.1001
C7 1.0505 0.5206 0.1364   -1.0492 0.5271 0.1209
H8 0.9951 0.9349 1.1457   -0.9916 0.9735 1.1163
H9 1.0614 1.3557 -0.5691   -1.0590 1.3392 -0.6110
C10 2.2842 -0.3357 -0.0275   -2.2850 -0.3312 -0.0141
H11 2.2640 -1.1650 0.6762   -2.2658 -1.1375 0.7158
H12 2.3301 -0.7414 -1.0358   -2.3331 -0.7688 -1.0088
H13 3.1820 0.2537 0.1539   -3.1812 0.2658 0.1494
Atom - Atom Distances (Å)
  C1 H2 H3 C4 H5 O6 C7 H8 H9 C10 H11 H12 H13
C1 1.0786 1.0775 1.3228 2.1112 2.3493 3.5658 3.7842 3.9056 4.7069 4.8040 4.9003 5.6302
H2 1.0786 1.8531 2.0971 3.0732 2.6216 3.9741 4.2332 4.5120 4.8523 4.7387 4.9899 5.8595
H3 1.0775 1.8531 2.0837 2.4426 3.3216 4.4124 4.5405 4.5891 5.6672 5.8279 5.8656 6.5354
C4 1.3228 2.0971 2.0837 1.0845 1.3582 2.3437 2.6553 2.5880 3.6243 3.9252 3.8797 4.4648
H5 2.1112 3.0732 2.4426 1.0845 2.0691 2.4813 2.6816 2.3077 3.9312 4.4440 4.2281 4.5795
O6 2.3493 2.6216 3.3216 1.3582 2.0691 1.4172 2.0621 2.0615 2.3652 2.6189 2.6189 3.3182
C7 3.5658 3.9741 4.4124 2.3437 2.4813 1.4172 1.0924 1.0933 1.5107 2.1459 2.1457 2.1482
H8 3.7842 4.2332 4.5405 2.6553 2.6816 2.0621 1.0924 1.7669 2.1570 2.4980 3.0579 2.4960
H9 3.9056 4.5120 4.5891 2.5880 2.3077 2.0615 1.0933 1.7669 2.1564 3.0579 2.4951 2.4968
C10 4.7069 4.8523 5.6672 3.6243 3.9312 2.3652 1.5107 2.1570 2.1564 1.0877 1.0878 1.0891
H11 4.8040 4.7387 5.8279 3.9252 4.4440 2.6189 2.1459 2.4980 3.0579 1.0877 1.7648 1.7686
H12 4.9003 4.9899 5.8656 3.8797 4.2281 2.6189 2.1457 3.0579 2.4951 1.0878 1.7648 1.7695
H13 5.6302 5.8595 6.5354 4.4648 4.5795 3.3182 2.1482 2.4960 2.4968 1.0891 1.7686 1.7695
Maximum atom distance is 6.5354Å between atoms H3 and H13.
picture of Ethene, ethoxy-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 O6 122.391 C4 O6 C7 115.216
O6 C7 C10 107.724
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H5 122.253 H2 C1 H3 118.512
H2 C1 C4 121.352 H3 C1 C4 120.131
H5 C4 O6 115.329 O6 C7 H8 109.835
O6 C7 H9 109.728 C7 C10 H11 110.288
C7 C10 H12 110.265 C7 C10 H13 110.382
H8 C7 H9 107.876 H8 C7 C10 110.893
H9 C7 C10 110.786 H11 C10 H12 108.431
H11 C10 H13 108.672 H12 C10 H13 108.750

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