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Geometry for C19H16 (Triphenylmethane) 1A C3

1910171554
InChI=1S/C19H16/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H INChIKey=AAAQKTZKLRYKHR-UHFFFAOYSA-N

wB97X-D/cc-pVDZ


Point group is C3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7674   0.0000 0.0000 0.7674
H2 0.0000 0.0000 1.8700   0.0000 0.0000 1.8700
C3 0.0000 1.4646 0.3429   -1.4642 -0.0338 0.3429
C4 1.2684 -0.7323 0.3429   0.7028 1.2849 0.3429
C5 -1.2684 -0.7323 0.3429   0.7614 -1.2511 0.3429
C6 0.7251 1.9310 -0.7559   -1.9472 0.6803 -0.7559
C7 1.3098 -1.5934 -0.7559   1.5628 1.3462 -0.7559
C8 -2.0348 -0.3376 -0.7559   0.3844 -2.0265 -0.7559
C9 -0.7904 2.3723 1.0580   -2.3535 -0.8449 1.0580
C10 2.4497 -0.5017 1.0580   0.4450 2.4606 1.0580
C11 -1.6593 -1.8707 1.0580   1.9085 -1.6157 1.0580
C12 0.6574 3.2731 -1.1335   -3.2874 0.5817 -1.1335
C13 2.5059 -2.2059 -1.1335   2.1475 2.5561 -1.1335
C14 -3.1633 -1.0672 -1.1335   1.1399 -3.1378 -1.1335
C15 -0.8576 3.7114 0.6860   -3.6906 -0.9430 0.6860
C16 3.6430 -1.1130 0.6860   1.0286 3.6677 0.6860
C17 -2.7853 -2.5984 0.6860   2.6620 -2.7247 0.6860
C18 -0.1326 4.1672 -0.4155   -4.1631 -0.2287 -0.4155
C19 3.6752 -1.9688 -0.4155   1.8835 3.7197 -0.4155
C20 -3.5427 -2.1984 -0.4155   2.2796 -3.4910 -0.4155
H21 1.3550 1.2409 -1.3203   -1.2718 1.3260 -1.3203
H22 0.3971 -1.7939 -1.3203   1.7842 0.4384 -1.3203
H23 -1.7521 0.5530 -1.3203   -0.5124 -1.7644 -1.3203
H24 -1.3676 2.0182 1.9161   -1.9861 -1.4138 1.9161
H25 2.4316 0.1753 1.9161   -0.2313 2.4269 1.9161
H26 -1.0640 -2.1934 1.9161   2.2174 -1.0131 1.9161
H27 1.2315 3.6199 -1.9949   -3.6474 1.1477 -1.9949
H28 2.5192 -2.8765 -1.9949   2.8176 2.5849 -1.9949
H29 -3.7507 -0.7434 -1.9949   0.8298 -3.7325 -1.9949
H30 -1.4780 4.4038 1.2585   -4.3685 -1.5792 1.2585
H31 4.5528 -0.9219 1.2585   0.8166 4.5728 1.2585
H32 -3.0747 -3.4819 1.2585   3.5519 -2.9936 1.2585
H33 -0.1809 5.2174 -0.7093   -5.2118 -0.3012 -0.7093
H34 4.6088 -2.4520 -0.7093   2.3451 4.6642 -0.7093
H35 -4.4279 -2.7653 -0.7093   2.8668 -4.3630 -0.7093
Atom - Atom Distances (Å)
  C1 H2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16 C17 C18 C19 C20 H21 H22 H23 H24 H25 H26 H27 H28 H29 H30 H31 H32 H33 H34 H35
C1 1.1026 1.5248 1.5248 1.5248 2.5642 2.5642 2.5642 2.5174 2.5174 2.5174 3.8417 3.8417 3.8417 3.8101 3.8101 3.8101 4.3339 4.3339 4.3339 2.7810 2.7810 2.7810 2.6950 2.6950 2.6950 4.7171 4.7171 4.7171 4.6711 4.6711 4.6711 5.4254 5.4254 5.4254
H2 1.1026 2.1159 2.1159 2.1159 3.3392 3.3392 3.3392 2.6291 2.6291 2.6291 4.4907 4.4907 4.4907 3.9890 3.9890 3.9890 4.7547 4.7547 4.7547 3.6815 3.6815 3.6815 2.4383 2.4383 2.4383 5.4367 5.4367 5.4367 4.6853 4.6853 4.6853 5.8230 5.8230 5.8230
C3 1.5248 2.1159 2.5367 2.5367 1.3967 3.5035 2.9319 1.4000 3.2216 3.7932 2.4254 4.6831 4.3123 2.4293 4.4758 4.9380 2.8102 5.0863 5.1520 2.1569 3.6799 2.5821 2.1568 3.1701 4.1217 3.4099 5.5368 4.9405 3.4149 5.2212 5.8957 3.9017 6.1391 6.2134
C4 1.5248 2.1159 2.5367 2.5367 2.9319 1.3967 3.5035 3.7932 1.4000 3.2216 4.3123 2.4254 4.6831 4.9380 2.4293 4.4758 5.1520 2.8102 5.0863 2.5821 2.1569 3.6799 4.1217 2.1568 3.1701 4.9405 3.4099 5.5368 5.8957 3.4149 5.2212 6.2134 3.9017 6.1391
C5 1.5248 2.1159 2.5367 2.5367 3.5035 2.9319 1.3967 3.2216 3.7932 1.4000 4.6831 4.3123 2.4254 4.4758 4.9380 2.4293 5.0863 5.1520 2.8102 3.6799 2.5821 2.1569 3.1701 4.1217 2.1568 5.5368 4.9405 3.4099 5.2212 5.8957 3.4149 6.1391 6.2134 3.9017
C6 2.5642 3.3392 1.3967 2.9319 3.5035 3.5726 3.5726 2.4045 3.4904 4.8403 1.3958 4.5197 4.9245 2.7846 4.4564 5.9091 2.4191 4.9018 5.9482 1.0916 3.7816 2.8903 3.3951 3.6242 5.2299 2.1550 5.2788 5.3591 3.8763 5.1815 6.9135 3.4093 5.8564 6.9722
C7 2.5642 3.3392 3.5035 1.3967 2.9319 3.5726 3.5726 4.8403 2.4045 3.4904 4.9246 1.3958 4.5197 5.9091 2.7846 4.4564 5.9482 2.4191 4.9018 2.8903 1.0916 3.7816 5.2299 3.3951 3.6242 5.3591 2.1550 5.2788 6.9135 3.8763 5.1815 6.9722 3.4093 5.8564
C8 2.5642 3.3392 2.9319 3.5035 1.3967 3.5726 3.5726 3.4904 4.8403 2.4045 4.5197 4.9246 1.3958 4.4564 5.9091 2.7846 4.9018 5.9482 2.4191 3.7816 2.8903 1.0916 3.6242 5.2299 3.3951 5.2788 5.3591 2.1550 5.1815 6.9135 3.8763 5.8564 6.9722 3.4093
C9 2.5174 2.6291 1.4000 3.7932 3.2216 2.4045 4.8403 3.4904 4.3311 4.3311 2.7767 6.0521 4.7184 1.3914 5.6516 5.3690 2.4136 6.3999 5.5351 3.3969 4.9420 3.1450 1.0931 3.9931 4.6538 3.8684 6.9155 5.2718 2.1540 6.2802 6.2873 3.4043 7.4532 6.5384
C10 2.5174 2.6291 3.2216 1.4000 3.7932 3.4904 2.4045 4.8403 4.3311 4.3311 4.7184 2.7767 6.0521 5.3690 1.3914 5.6516 5.5351 2.4136 6.3999 3.1450 3.3969 4.9420 4.6538 1.0931 3.9931 5.2718 3.8684 6.9155 6.2873 2.1540 6.2802 6.5384 3.4043 7.4532
C11 2.5174 2.6291 3.7932 3.2216 1.4000 4.8403 3.4904 2.4045 4.3311 4.3311 6.0521 4.7184 2.7767 5.6516 5.3690 1.3914 6.3999 5.5351 2.4136 4.9420 3.1450 3.3969 3.9931 4.6538 1.0931 6.9155 5.2718 3.8684 6.2802 6.2873 2.1540 7.4532 6.5384 3.4043
C12 3.8417 4.4907 2.4254 4.3123 4.6831 1.3958 4.9246 4.5197 2.7767 4.7184 6.0521 5.7824 5.7824 2.4079 5.6091 7.0454 1.3925 6.0910 6.9349 2.1567 5.0771 3.6386 3.8698 4.6951 6.4920 1.0918 6.4827 6.0254 3.4000 6.2043 8.0796 2.1594 6.9693 7.9059
C13 3.8417 4.4907 4.6831 2.4254 4.3123 4.5197 1.3958 4.9246 6.0521 2.7767 4.7184 5.7824 5.7824 7.0454 2.4079 5.6091 6.9349 1.3925 6.0910 3.6386 2.1567 5.0771 6.4920 3.8698 4.6951 6.0254 1.0918 6.4827 8.0796 3.4000 6.2043 7.9059 2.1594 6.9693
C14 3.8417 4.4907 4.3123 4.6831 2.4254 4.9245 4.5197 1.3958 4.7184 6.0521 2.7767 5.7824 5.7824 5.6091 7.0454 2.4079 6.0910 6.9349 1.3925 5.0771 3.6386 2.1567 4.6951 6.4920 3.8698 6.4827 6.0254 1.0918 6.2043 8.0796 3.4000 6.9693 7.9059 2.1594
C15 3.8101 3.9890 2.4293 4.9380 4.4758 2.7846 5.9091 4.4564 1.3914 5.3690 5.6516 2.4079 7.0454 5.6091 6.5977 6.5977 1.3953 7.3501 6.5840 3.8761 5.9923 3.8471 2.1541 4.9836 6.0351 3.4001 7.8734 5.9500 1.0918 7.1461 7.5489 2.1617 8.3556 7.5261
C16 3.8101 3.9890 4.4758 2.4293 4.9380 4.4564 2.7846 5.9091 5.6516 1.3914 5.3690 5.6091 2.4079 7.0454 6.5977 6.5977 6.5840 1.3953 7.3501 3.8471 3.8761 5.9923 6.0351 2.1541 4.9836 5.9500 3.4001 7.8734 7.5489 1.0918 7.1461 7.5261 2.1617 8.3556
C17 3.8101 3.9890 4.9380 4.4758 2.4293 5.9091 4.4564 2.7846 5.3690 5.6516 1.3914 7.0454 5.6091 2.4079 6.5977 6.5977 7.3501 6.5840 1.3953 5.9923 3.8471 3.8761 4.9836 6.0351 2.1541 7.8734 5.9500 3.4001 7.1461 7.5489 1.0918 8.3556 7.5261 2.1617
C18 4.3339 4.7547 2.8102 5.1520 5.0863 2.4191 5.9482 4.9018 2.4136 5.5351 6.3999 1.3925 6.9349 6.0910 1.3953 6.5840 7.3501 7.2215 7.2215 3.4051 6.0526 4.0625 3.4029 5.2865 6.8383 2.1575 7.6903 6.3008 2.1606 7.1171 8.3647 1.0915 8.1475 8.1607
C19 4.3339 4.7547 5.0863 2.8102 5.1520 4.9018 2.4191 5.9482 6.3999 2.4136 5.5351 6.0910 1.3925 6.9349 7.3501 1.3953 6.5840 7.2215 7.2215 4.0625 3.4051 6.0526 6.8383 3.4029 5.2865 6.3008 2.1575 7.6903 8.3647 2.1606 7.1171 8.1607 1.0915 8.1475
C20 4.3339 4.7547 5.1520 5.0863 2.8102 5.9482 4.9018 2.4191 5.5351 6.3999 2.4136 6.9349 6.0910 1.3925 6.5840 7.3501 1.3953 7.2215 7.2215 6.0526 4.0625 3.4051 5.2865 6.8383 3.4030 7.6903 6.3008 2.1575 7.1171 8.3647 2.1606 8.1475 8.1607 1.0915
H21 2.7810 3.6815 2.1569 2.5821 3.6799 1.0916 2.8903 3.7816 3.3969 3.1450 4.9420 2.1567 3.6386 5.0771 3.8761 3.8471 5.9923 3.4051 4.0625 6.0526 3.1823 3.1823 4.3001 3.5733 5.3028 2.4760 4.3316 5.5191 4.9679 4.6425 6.9697 4.3064 4.9597 7.0615
H22 2.7810 3.6815 3.6799 2.1569 2.5821 3.7816 1.0916 2.8903 4.9420 3.3969 3.1450 5.0771 2.1567 3.6386 5.9923 3.8761 3.8471 6.0526 3.4051 4.0625 3.1823 3.1823 5.3028 4.3001 3.5733 5.5191 2.4760 4.3316 6.9697 4.9679 4.6425 7.0615 4.3064 4.9597
H23 2.7810 3.6815 2.5821 3.6799 2.1569 2.8903 3.7816 1.0916 3.1450 4.9420 3.3969 3.6386 5.0771 2.1567 3.8471 5.9923 3.8761 4.0625 6.0526 3.4051 3.1823 3.1823 3.5733 5.3028 4.3001 4.3316 5.5191 2.4760 4.6425 6.9697 4.9679 4.9597 7.0615 4.3064
H24 2.6950 2.4383 2.1568 4.1217 3.1701 3.3951 5.2299 3.6242 1.0931 4.6538 3.9931 3.8698 6.4920 4.6951 2.1541 6.0351 4.9836 3.4029 6.8383 5.2865 4.3001 5.3028 3.5733 4.2226 4.2226 4.9616 7.3730 5.3481 2.4770 6.6428 5.7964 4.3054 7.9116 6.2563
H25 2.6950 2.4383 3.1701 2.1568 4.1217 3.6242 3.3951 5.2299 3.9931 1.0931 4.6538 4.6951 3.8698 6.4920 4.9836 2.1541 6.0351 5.2865 3.4029 6.8383 3.5733 4.3001 5.3028 4.2226 4.2226 5.3481 4.9616 7.3730 5.7964 2.4770 6.6428 6.2563 4.3054 7.9116
H26 2.6950 2.4383 4.1217 3.1701 2.1568 5.2299 3.6242 3.3951 4.6538 3.9931 1.0931 6.4920 4.6951 3.8698 6.0351 4.9836 2.1541 6.8383 5.2865 3.4030 5.3028 3.5733 4.3001 4.2226 4.2226 7.3730 5.3481 4.9616 6.6428 5.7964 2.4770 7.9116 6.2563 4.3054
H27 4.7171 5.4367 3.4099 4.9405 5.5368 2.1550 5.3591 5.2788 3.8684 5.2718 6.9155 1.0918 6.0254 6.4827 3.4001 5.9500 7.8734 2.1575 6.3008 7.6903 2.4760 5.5191 4.3316 4.9616 5.3481 7.3730 6.6228 6.6228 4.3059 6.4995 8.9199 2.4899 7.0659 8.6287
H28 4.7171 5.4367 5.5368 3.4099 4.9405 5.2788 2.1550 5.3591 6.9155 3.8684 5.2718 6.4827 1.0918 6.0254 7.8734 3.4001 5.9500 7.6903 2.1575 6.3008 4.3316 2.4760 5.5191 7.3730 4.9616 5.3481 6.6228 6.6228 8.9199 4.3059 6.4995 8.6287 2.4899 7.0659
H29 4.7171 5.4367 4.9405 5.5368 3.4099 5.3591 5.2788 2.1550 5.2718 6.9155 3.8684 6.0254 6.4827 1.0918 5.9500 7.8734 3.4001 6.3008 7.6903 2.1575 5.5191 4.3316 2.4760 5.3481 7.3730 4.9616 6.6228 6.6228 6.4995 8.9199 4.3059 7.0659 8.6287 2.4899
H30 4.6711 4.6853 3.4149 5.8957 5.2212 3.8763 6.9135 5.1815 2.1540 6.2873 6.2802 3.4000 8.0796 6.2043 1.0918 7.5489 7.1461 2.1606 8.3647 7.1171 4.9679 6.9697 4.6425 2.4770 5.7964 6.6428 4.3059 8.9199 6.4995 8.0457 8.0457 2.4934 9.3768 7.9981
H31 4.6711 4.6853 5.2212 3.4149 5.8957 5.1815 3.8763 6.9135 6.2802 2.1540 6.2873 6.2043 3.4000 8.0796 7.1461 1.0918 7.5489 7.1171 2.1606 8.3647 4.6425 4.9679 6.9697 6.6428 2.4770 5.7964 6.4995 4.3059 8.9199 8.0457 8.0457 7.9981 2.4934 9.3768
H32 4.6711 4.6853 5.8957 5.2212 3.4149 6.9135 5.1815 3.8763 6.2873 6.2802 2.1540 8.0796 6.2043 3.4000 7.5489 7.1461 1.0918 8.3647 7.1171 2.1606 6.9697 4.6425 4.9679 5.7964 6.6428 2.4770 8.9199 6.4995 4.3059 8.0457 8.0457 9.3768 7.9981 2.4934
H33 5.4254 5.8230 3.9017 6.2134 6.1391 3.4093 6.9722 5.8564 3.4043 6.5384 7.4532 2.1594 7.9059 6.9693 2.1617 7.5261 8.3556 1.0915 8.1607 8.1475 4.3064 7.0615 4.9597 4.3054 6.2563 7.9116 2.4899 8.6287 7.0659 2.4934 7.9981 9.3768 9.0422 9.0422
H34 5.4254 5.8230 6.1391 3.9017 6.2134 5.8564 3.4093 6.9722 7.4532 3.4043 6.5384 6.9693 2.1594 7.9059 8.3556 2.1617 7.5261 8.1475 1.0915 8.1607 4.9597 4.3064 7.0615 7.9116 4.3054 6.2563 7.0659 2.4899 8.6287 9.3768 2.4934 7.9981 9.0422 9.0422
H35 5.4254 5.8230 6.2134 6.1391 3.9017 6.9722 5.8564 3.4093 6.5384 7.4532 3.4043 7.9059 6.9693 2.1594 7.5261 8.3556 2.1617 8.1607 8.1475 1.0915 7.0615 4.9597 4.3064 6.2563 7.9116 4.3054 8.6287 7.0659 2.4899 7.9981 9.3768 2.4934 9.0422 9.0422
Maximum atom distance is 9.3768Å between atoms H32 and H33.
picture of Triphenylmethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 C6 122.668 C1 C3 C9 118.724
C1 C4 C7 122.668 C1 C4 C10 118.724
C1 C5 C8 122.668 C1 C5 C11 118.724
C3 C1 C4 112.567 C3 C1 C5 112.567
C3 C6 C12 120.580 C3 C9 C15 120.980
C4 C1 C5 112.567 C4 C7 C13 120.580
C4 C10 C16 120.980 C5 C8 C14 120.580
C5 C11 C17 120.980 C6 C3 C9 118.579
C6 C12 C18 120.359 C7 C4 C10 118.579
C7 C13 C19 120.359 C8 C5 C11 118.579
C8 C14 C20 120.359 C9 C15 C18 120.024
C10 C16 C19 120.024 C11 C17 C20 120.024
C12 C18 C15 119.477 C13 C19 C16 119.477
C14 C20 C17 119.477
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 C3 106.163 H2 C1 C4 106.163
H2 C1 C5 106.163 C3 C6 H21 119.679
C3 C9 H24 119.273 C4 C7 H22 119.679
C4 C10 H25 119.273 C5 C8 H23 119.679
C5 C11 H26 119.273 C6 C12 H27 119.563
C7 C13 H28 119.563 C8 C14 H29 119.563
C9 C15 H30 119.842 C10 C16 H31 119.842
C11 C17 H32 119.841 C12 C5 H21 26.588
C12 C18 H33 120.269 C13 C7 H22 119.740
C13 C19 H34 120.269 C14 C8 H23 119.740
C14 C20 H35 120.269 C15 C9 H24 119.745
C15 C18 H33 120.253 C16 C10 H25 119.745
C16 C19 H34 120.253 C17 C11 H26 119.745
C17 C20 H35 120.253 C18 C12 H27 120.078
C18 C15 H30 120.135 C19 C13 H28 120.078
C19 C16 H31 120.135 C20 C14 H29 120.078
C20 C17 H32 120.135

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