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Geometry for C9H20 (Nonane) 1A1 C2V

1910171554
InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3 INChIKey=BKIMMITUMNQMOS-UHFFFAOYSA-N

CID/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3598   0.3598 0.0000 0.0000
C2 0.0000 1.2723 -0.4779   -0.4779 0.0000 1.2723
C3 0.0000 -1.2723 -0.4779   -0.4779 0.0000 -1.2723
C4 0.0000 2.5446 0.3597   0.3597 0.0000 2.5446
C5 0.0000 -2.5446 0.3597   0.3597 0.0000 -2.5446
C6 0.0000 3.8177 -0.4771   -0.4771 0.0000 3.8177
C7 0.0000 -3.8177 -0.4771   -0.4771 0.0000 -3.8177
C8 0.0000 5.0838 0.3685   0.3685 0.0000 5.0838
C9 0.0000 -5.0838 0.3685   0.3685 0.0000 -5.0838
H10 0.8722 0.0000 1.0154   1.0154 0.8722 -0.0000
H11 -0.8722 0.0000 1.0154   1.0154 -0.8722 0.0000
H12 0.8722 1.2723 -1.1335   -1.1335 0.8722 1.2723
H13 -0.8722 1.2723 -1.1335   -1.1335 -0.8722 1.2723
H14 -0.8722 -1.2723 -1.1335   -1.1335 -0.8722 -1.2723
H15 0.8722 -1.2723 -1.1335   -1.1335 0.8722 -1.2723
H16 0.8722 2.5454 1.0154   1.0154 0.8722 2.5454
H17 -0.8722 2.5454 1.0154   1.0154 -0.8722 2.5454
H18 -0.8722 -2.5454 1.0154   1.0154 -0.8722 -2.5454
H19 0.8722 -2.5454 1.0154   1.0154 0.8722 -2.5454
H20 -0.8718 3.8174 -1.1317   -1.1317 -0.8718 3.8174
H21 0.8718 3.8174 -1.1317   -1.1317 0.8718 3.8174
H22 0.8718 -3.8174 -1.1317   -1.1317 0.8718 -3.8174
H23 -0.8718 -3.8174 -1.1317   -1.1317 -0.8718 -3.8174
H24 0.0000 5.9762 -0.2529   -0.2529 0.0000 5.9762
H25 -0.8784 5.1254 1.0094   1.0094 -0.8784 5.1254
H26 0.8784 5.1254 1.0094   1.0094 0.8784 5.1254
H27 0.0000 -5.9762 -0.2529   -0.2529 0.0000 -5.9762
H28 0.8784 -5.1254 1.0094   1.0094 0.8784 -5.1254
H29 -0.8784 -5.1254 1.0094   1.0094 -0.8784 -5.1254
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 C8 C9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19 H20 H21 H22 H23 H24 H25 H26 H27 H28 H29
C1 1.5234 1.5234 2.5446 2.5446 3.9083 3.9083 5.0838 5.0838 1.0911 1.0911 2.1470 2.1470 2.1470 2.1470 2.7694 2.7694 2.7694 2.7694 4.1901 4.1901 4.1901 4.1901 6.0075 5.2406 5.2406 6.0075 5.2406 5.2406
C2 1.5234 2.5447 1.5233 3.9078 2.5453 5.0900 3.9043 6.4122 2.1470 2.1470 1.0911 1.0911 2.7687 2.7687 2.1474 2.1474 4.1912 4.1912 2.7685 2.7685 5.2051 5.2051 4.7092 4.2226 4.2226 7.2520 6.6268 6.6268
C3 1.5234 2.5447 3.9078 1.5233 5.0900 2.5453 6.4122 3.9043 2.1470 2.1470 2.7687 2.7687 1.0911 1.0911 4.1912 4.1912 2.1474 2.1474 5.2051 5.2051 2.7685 2.7685 7.2520 6.6268 6.6268 4.7092 4.2226 4.2226
C4 2.5446 1.5233 3.9078 5.0892 1.5234 6.4171 2.5392 7.6284 2.7687 2.7687 2.1469 2.1469 4.1904 4.1904 1.0912 1.0912 5.2057 5.2057 2.1457 2.1457 6.5924 6.5924 3.4858 2.8025 2.8025 8.5428 7.7475 7.7475
C5 2.5446 3.9078 1.5233 5.0892 6.4171 1.5234 7.6284 2.5392 2.7687 2.7687 4.1904 4.1904 2.1469 2.1469 5.2057 5.2057 1.0912 1.0912 6.5924 6.5924 2.1457 2.1457 8.5428 7.7475 7.7475 3.4858 2.8025 2.8025
C6 3.9083 2.5453 5.0900 1.5234 6.4171 7.6353 1.5225 8.9415 4.1908 4.1908 2.7696 2.7696 5.2057 5.2057 2.1463 2.1463 6.5937 6.5937 1.0902 1.0902 7.7125 7.7125 2.1701 2.1660 2.1660 9.7964 9.1082 9.1082
C7 3.9083 5.0900 2.5453 6.4171 1.5234 7.6353 8.9415 1.5225 4.1908 4.1908 5.2057 5.2057 2.7696 2.7696 6.5937 6.5937 2.1463 2.1463 7.7125 7.7125 1.0902 1.0902 9.7964 9.1082 9.1082 2.1701 2.1660 2.1660
C8 5.0838 3.9043 6.4122 2.5392 7.6284 1.5225 8.9415 10.1675 5.1985 5.1985 4.1885 4.1885 6.5891 6.5891 2.7609 2.7609 7.7061 7.7061 2.1481 2.1481 9.0687 9.0687 1.0875 1.0882 1.0882 11.0774 10.2669 10.2669
C9 5.0838 6.4122 3.9043 7.6284 2.5392 8.9415 1.5225 10.1675 5.1985 5.1985 6.5891 6.5891 4.1885 4.1885 7.7061 7.7061 2.7609 2.7609 9.0687 9.0687 2.1481 2.1481 11.0774 10.2669 10.2669 1.0875 1.0882 1.0882
H10 1.0911 2.1470 2.1470 2.7687 2.7687 4.1908 4.1908 5.1985 5.1985 1.7444 2.4973 3.0463 3.0463 2.4973 2.5454 3.0858 3.0858 2.5454 4.7142 4.3798 4.3798 4.7142 6.1712 5.4161 5.1254 6.1712 5.1254 5.4161
H11 1.0911 2.1470 2.1470 2.7687 2.7687 4.1908 4.1908 5.1985 5.1985 1.7444 3.0463 2.4973 2.4973 3.0463 3.0858 2.5454 2.5454 3.0858 4.3798 4.7142 4.7142 4.3798 6.1712 5.1254 5.4161 6.1712 5.4161 5.1254
H12 2.1470 1.0911 2.7687 2.1469 4.1904 2.7696 5.2057 4.1885 6.5891 2.4973 3.0463 1.7445 3.0852 2.5447 2.4977 3.0466 4.7155 4.3810 3.0853 2.5451 5.0897 5.3802 4.8644 4.7438 4.4089 7.3537 6.7471 6.9705
H13 2.1470 1.0911 2.7687 2.1469 4.1904 2.7696 5.2057 4.1885 6.5891 3.0463 2.4973 1.7445 2.5447 3.0852 3.0466 2.4977 4.3810 4.7155 2.5451 3.0853 5.3802 5.0897 4.8644 4.4089 4.7438 7.3537 6.9705 6.7471
H14 2.1470 2.7687 1.0911 4.1904 2.1469 5.2057 2.7696 6.5891 4.1885 3.0463 2.4973 3.0852 2.5447 1.7445 4.7155 4.3810 2.4977 3.0466 5.0897 5.3802 3.0853 2.5451 7.3537 6.7471 6.9705 4.8644 4.7438 4.4089
H15 2.1470 2.7687 1.0911 4.1904 2.1469 5.2057 2.7696 6.5891 4.1885 2.4973 3.0463 2.5447 3.0852 1.7445 4.3810 4.7155 3.0466 2.4977 5.3802 5.0897 2.5451 3.0853 7.3537 6.9705 6.7471 4.8644 4.4089 4.7438
H16 2.7694 2.1474 4.1912 1.0912 5.2057 2.1463 6.5937 2.7609 7.7061 2.5454 3.0858 2.4977 3.0466 4.7155 4.3810 1.7445 5.3814 5.0908 3.0446 2.4956 6.7153 6.9381 3.7603 3.1179 2.5800 8.6595 7.6708 7.8681
H17 2.7694 2.1474 4.1912 1.0912 5.2057 2.1463 6.5937 2.7609 7.7061 3.0858 2.5454 3.0466 2.4977 4.3810 4.7155 1.7445 5.0908 5.3814 2.4956 3.0446 6.9381 6.7153 3.7603 2.5800 3.1179 8.6595 7.8681 7.6708
H18 2.7694 4.1912 2.1474 5.2057 1.0912 6.5937 2.1463 7.7061 2.7609 3.0858 2.5454 4.7155 4.3810 2.4977 3.0466 5.3814 5.0908 1.7445 6.7153 6.9381 3.0446 2.4956 8.6595 7.6708 7.8681 3.7603 3.1179 2.5800
H19 2.7694 4.1912 2.1474 5.2057 1.0912 6.5937 2.1463 7.7061 2.7609 2.5454 3.0858 4.3810 4.7155 3.0466 2.4977 5.0908 5.3814 1.7445 6.9381 6.7153 2.4956 3.0446 8.6595 7.8681 7.6708 3.7603 2.5800 3.1179
H20 4.1901 2.7685 5.2051 2.1457 6.5924 1.0902 7.7125 2.1481 9.0687 4.7142 4.3798 3.0853 2.5451 5.0897 5.3802 3.0446 2.4956 6.7153 6.9381 1.7436 7.8313 7.6348 2.4885 2.5091 3.0592 9.8715 9.3606 9.1955
H21 4.1901 2.7685 5.2051 2.1457 6.5924 1.0902 7.7125 2.1481 9.0687 4.3798 4.7142 2.5451 3.0853 5.3802 5.0897 2.4956 3.0446 6.9381 6.7153 1.7436 7.6348 7.8313 2.4885 3.0592 2.5091 9.8715 9.1955 9.3606
H22 4.1901 5.2051 2.7685 6.5924 2.1457 7.7125 1.0902 9.0687 2.1481 4.3798 4.7142 5.0897 5.3802 3.0853 2.5451 6.7153 6.9381 3.0446 2.4956 7.8313 7.6348 1.7436 9.8715 9.3606 9.1955 2.4885 2.5091 3.0592
H23 4.1901 5.2051 2.7685 6.5924 2.1457 7.7125 1.0902 9.0687 2.1481 4.7142 4.3798 5.3802 5.0897 2.5451 3.0853 6.9381 6.7153 2.4956 3.0446 7.6348 7.8313 1.7436 9.8715 9.1955 9.3606 2.4885 3.0592 2.5091
H24 6.0075 4.7092 7.2520 3.4858 8.5428 2.1701 9.7964 1.0875 11.0774 6.1712 6.1712 4.8644 4.8644 7.3537 7.3537 3.7603 3.7603 8.6595 8.6595 2.4885 2.4885 9.8715 9.8715 1.7575 1.7575 11.9524 11.2076 11.2076
H25 5.2406 4.2226 6.6268 2.8025 7.7475 2.1660 9.1082 1.0882 10.2669 5.4161 5.1254 4.7438 4.4089 6.7471 6.9705 3.1179 2.5800 7.6708 7.8681 2.5091 3.0592 9.3606 9.1955 1.7575 1.7568 11.2076 10.4003 10.2508
H26 5.2406 4.2226 6.6268 2.8025 7.7475 2.1660 9.1082 1.0882 10.2669 5.1254 5.4161 4.4089 4.7438 6.9705 6.7471 2.5800 3.1179 7.8681 7.6708 3.0592 2.5091 9.1955 9.3606 1.7575 1.7568 11.2076 10.2508 10.4003
H27 6.0075 7.2520 4.7092 8.5428 3.4858 9.7964 2.1701 11.0774 1.0875 6.1712 6.1712 7.3537 7.3537 4.8644 4.8644 8.6595 8.6595 3.7603 3.7603 9.8715 9.8715 2.4885 2.4885 11.9524 11.2076 11.2076 1.7575 1.7575
H28 5.2406 6.6268 4.2226 7.7475 2.8025 9.1082 2.1660 10.2669 1.0882 5.1254 5.4161 6.7471 6.9705 4.7438 4.4089 7.6708 7.8681 3.1179 2.5800 9.3606 9.1955 2.5091 3.0592 11.2076 10.4003 10.2508 1.7575 1.7568
H29 5.2406 6.6268 4.2226 7.7475 2.8025 9.1082 2.1660 10.2669 1.0882 5.4161 5.1254 6.9705 6.7471 4.4089 4.7438 7.8681 7.6708 2.5800 3.1179 9.1955 9.3606 3.0592 2.5091 11.2076 10.2508 10.4003 1.7575 1.7568
Maximum atom distance is 11.9524Å between atoms H24 and H27.
picture of Nonane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 113.278 C1 C3 C5 113.278
C2 C1 C3 113.274 C2 C4 C6 113.326
C3 C5 C7 113.326 C4 C6 C8 112.949
C5 C7 C9 112.949
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H12 109.294 C1 C2 H13 109.294
C1 C3 H14 109.294 C1 C3 H15 109.294
C2 C1 H10 109.294 C2 C1 H11 109.294
C2 C4 H16 109.331 C2 C4 H17 109.331
C3 C1 H10 109.294 C3 C1 H11 109.294
C3 C5 H18 109.331 C3 C5 H19 109.331
C4 C2 H12 109.292 C4 C2 H13 109.292
C4 C6 H20 109.244 C4 C6 H21 109.244
C5 C3 H14 109.292 C5 C3 H15 109.292
C5 C7 H22 109.244 C5 C7 H23 109.244
C6 C4 H16 109.235 C6 C4 H17 109.235
C6 C8 H24 111.415 C6 C8 H25 111.036
C6 C8 H26 111.036 C7 C5 H14 96.501
C7 C5 H15 96.501 C7 C9 H27 111.415
C7 C9 H28 111.036 C7 C9 H29 111.036
C8 C6 H20 109.493 C8 C6 H21 109.493
C9 C7 H22 109.493 C9 C7 H23 109.493
H10 C1 H11 106.141 H12 C2 H13 106.143
H14 C3 H15 106.143 H16 C4 H17 106.130
H18 C5 H19 106.130 H20 C6 H21 106.194
H22 C7 H23 106.194 H24 C8 H25 107.767
H24 C8 H26 107.767 H25 C8 H26 107.650
H27 C9 H28 107.767 H27 C9 H29 107.767
H28 C9 H29 107.650

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