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Geometry for C5H10O (2-methylbutyraldehyde) 1A C1

1910171554
InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1 INChIKey=BYGQBDHUGHBGMD-RXMQYKEDSA-N

CCD/cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3831 -0.7038 0.2076   1.3764 -0.7165 0.2086
C2 -0.0848 0.0699 0.4024   0.0879 0.0740 0.4010
C3 1.0614 -0.6903 -0.3014   -1.0707 -0.6822 -0.2866
C4 2.4579 -0.1355 0.0096   -2.4591 -0.1080 0.0254
C5 -0.2344 1.5261 -0.0492   0.2509 1.5226 -0.0699
O6 -2.4023 -0.2417 -0.2507   2.3979 -0.2715 -0.2614
H7 -1.3342 -1.7799 0.5232   1.3175 -1.7879 0.5379
H8 0.1194 0.0367 1.4952   -0.1102 0.0568 1.4952
H9 1.0221 -1.7554 0.0008   -1.0414 -1.7438 0.0288
H10 0.8848 -0.6690 -1.3955   -0.9003 -0.6766 -1.3818
H11 3.2390 -0.7554 -0.4646   -3.2498 -0.7251 -0.4364
H12 2.5796 0.8969 -0.3616   -2.5716 0.9209 -0.3581
H13 2.6444 -0.1290 1.0996   -2.6391 -0.0858 1.1163
H14 -0.4001 1.5764 -1.1405   0.4108 1.5574 -1.1625
H15 -1.1033 1.9979 0.4389   1.1278 1.9909 0.4073
H16 0.6649 2.1158 0.1957   -0.6403 2.1253 0.1728
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 O6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16
C1 1.5239 2.4969 3.8878 2.5215 1.2093 1.1225 2.1127 2.6332 2.7775 4.6710 4.3115 4.1649 2.8255 2.7260 3.4849
C2 1.5239 1.5450 2.5810 1.5319 2.4278 2.2355 1.1121 2.1722 2.1722 3.5327 2.8925 2.8238 2.1794 2.1808 2.1887
C3 2.4969 1.5450 1.5345 2.5797 3.4929 2.7579 2.1549 1.1079 1.1084 2.1847 2.1972 2.1872 2.8245 3.5299 2.8772
C4 3.8878 2.5810 1.5345 3.1642 4.8683 4.1651 2.7758 2.1646 2.1756 1.1042 1.1038 1.1058 3.5244 4.1734 2.8840
C5 2.5215 1.5319 2.5797 3.1642 2.8045 3.5308 2.1745 3.5142 2.8077 4.1763 2.9003 3.5137 1.1049 1.1027 1.1029
O6 1.2093 2.4278 3.4929 4.8683 2.8045 2.0263 3.0796 3.7525 3.5069 5.6686 5.1115 5.2254 2.8471 2.6793 3.8941
H7 1.1225 2.2355 2.7579 4.1651 3.5308 2.0263 2.5214 2.4137 3.1368 4.7895 4.8235 4.3459 3.8607 3.7858 4.3909
H8 2.1127 1.1121 2.1549 2.7758 2.1745 3.0796 2.5214 2.5019 3.0724 3.7683 3.2000 2.5611 3.0963 2.5410 2.5117
H9 2.6332 2.1722 1.1079 2.1646 3.5142 3.7525 2.4137 2.5019 1.7745 2.4761 3.0970 2.5464 3.7982 4.3355 3.8925
H10 2.7775 2.1722 1.1084 2.1756 2.8077 3.5069 3.1368 3.0724 1.7745 2.5330 2.5285 3.1005 2.5996 3.7986 3.2148
H11 4.6710 3.5327 2.1847 1.1042 4.1763 5.6686 4.7895 3.7683 2.4761 2.5330 1.7820 1.7868 4.3746 5.2203 3.9122
H12 4.3115 2.8925 2.1972 1.1038 2.9003 5.1115 4.8235 3.2000 3.0970 2.5285 1.7820 1.7865 3.1539 3.9264 2.3372
H13 4.1649 2.8238 2.1872 1.1058 3.5137 5.2254 4.3459 2.5611 2.5464 3.1005 1.7868 1.7865 4.1467 4.3595 3.1264
H14 2.8255 2.1794 2.8245 3.5244 1.1049 2.8471 3.8607 3.0963 3.7982 2.5996 4.3746 3.1539 4.1467 1.7795 1.7918
H15 2.7260 2.1808 3.5299 4.1734 1.1027 2.6793 3.7858 2.5410 4.3355 3.7986 5.2203 3.9264 4.3595 1.7795 1.7887
H16 3.4849 2.1887 2.8772 2.8840 1.1029 3.8941 4.3909 2.5117 3.8925 3.2148 3.9122 2.3372 3.1264 1.7918 1.7887
Maximum atom distance is 5.6686Å between atoms O6 and H11.
picture of 2-methylbutyraldehyde
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 108.904 C1 C2 C5 111.206
C2 C1 O6 124.920 C2 C3 C4 113.885
C3 C2 C5 113.942
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 105.476 C2 C1 H7 114.439
C2 C3 H9 108.814 C2 C3 H10 108.789
C2 C5 H14 110.437 C2 C5 H15 110.681
C2 C5 H16 111.291 C3 C2 H8 107.263
C3 C4 H11 110.717 C3 C4 H12 111.736
C3 C4 H13 110.817 C4 C3 H9 108.935
C4 C3 H10 109.760 C5 C2 H8 109.635
O6 C1 H7 120.640 H9 C3 H10 106.385
H11 C4 H12 107.616 H11 C4 H13 107.896
H12 C4 H13 107.902 H14 C5 H15 107.431
H14 C5 H16 108.498 H15 C5 H16 108.383

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