Molecular Parameters - Carbon Compounds
| Molecular Formula | Name | Structure | Bond Length (Å) | Bond Angle (°) | Symmetry |
|---|---|---|---|---|---|
| CCl2F2 | dichlorodifluoromethane | C-Cl 1.74 ± 0.03 C-F 1.35 ± 0.03 |
ClCCl 109 ± 2 FCF 110 ± 2 |
C2v | |
| CCl2O | carbonyl chloride (phosgene) | C-Cl 1.746 ± 0.004 C-O 1.166 ± 0.002 |
ClCCl 111.3 ± 0.1 | C2v | |
| CCl2S | thiocarbonyl chloride (thiophosgene) | C-Cl 1.70 ± 0.02 C-S 1.63 (ass.) |
ClCCl 116 ± 2 (ass.) | C2v | |
| CCl3F | trichlorofluoromethane | C-Cl 1.76 ± 0.02 C-F 1.40 ± 0.04 |
ClCCl 111.5± 1 | C3v | |
| CHBr3 | bromoform | C-H 1.068 ± 0.010 C-Br 1.930 ± 0.003 |
BrCBr 110.8 ± 0.3 | C3v | |
| CHCl3 | chloroform | C-H 1.073 C-Cl 1.767 | ClCCl 110.4 | C3v | |
| CHF3 | fluoroform | C-H 1.098 C-F 1.332 ± 0.008 |
FCF 108.8 ± 0.75 | C3v | |
| CHI3 | iodoform | C-I 2.12 ± 0.04 | ICI 113.0 | C3v | |
| CHN | hydrogen cyanide (HCN) | C-H 1.068 C-N 1.156 ± 0.001 | C∞v | ||
| CHNO | hydrogen (iso)cyanate (HNCO) | N-H 0.987 ± 0.01 N-C 1.207 ± 0.01 C-O 1.171 ± 0.01 |
HNC 128.1 ± 0.5 | Cs | |
| CHNS | hydrogen (iso)thiocyanate(HNCS) | HN-C-S | N-H 1.013 ± 0.002 N-C 1.216 C-S 1.561 ± 0.002 |
HNC 130.25 ± 0.25 | Cs |
| [CHO2]- | formate ion in Na, Ca, Sr, Ba, and Gd salts | C-O 1.25 (av.) | OCO 124 | C2v | |
| CH2Br2 | dibromomethane | C-H 1.093 (ass.) C-Br 1.907 | HCH 109.5 (ass.) BrCBr 112 | C2v | |
| CH2Cl2 | dichloromethane (methylene chloride) | C-H 1.068 C-Cl 1.7724 ± 0.0005 |
HCH 112.0 ± 0.3 ClCCl 111.8 |
C2v | |
| CH2F2 | difluoromethane (methylene fluoride) | C-H 1.092 ± 0.003 C-F 1.358 ± 0.001 |
HCH 111.9 ± 0.4 FCF 108.3 ± 0.1 |
C2v | |
| CH2I2 | diiodomethane (methylene iodide) | C-I 2.12 ± 0.04 | ICI 114.7 | C2v | |
| CH2N2 | diazomethane | H2C-N-N | C-N 1.34 ± 0.05 N-N 1.13 ± 0.04 |
C2v | |
| CH2O | formaldehyde | C-H 1.060 ± 0.038 C-O 1.230 ± 0.17 |
HCH 125.8 ± 7 | C2v | |
| CH2O2 | formic acid | C-H 1.085 C-O1 1.245 C-O 1.312 O-H 0.95 |
HCO1 117.8 OCO1 124.3 COH 107.8 | Cs | |
| CH3Br | bromomethane (methyl bromide) | C-H 1.11 ± 0.01 C-Br 1.939 |
HCH 111.2 ± 0.5 | C3v | |
| CH3Cl | chloromethane (methyl chloride) | C-H 1.11 ± 0.01 C-Cl 1.781 ± 0.005 |
HCH 110.5 ± 0.5 | C3v | |
| CH3I | iodomethane (methyl iodide) | C-H 1.11 ± 0.1 C-I 2.139 |
HCH 111.4 ± 0.05 | C3v | |
| CH3NO (s) | formamide | H2N-CHO | C-O 1.25 C-N 1.300 |
OCN 121.5 | Cs |
| CH3NO2 | nitromethane | C-N 1.46 ± 0.02 N-O 1.21 ± 0.02 |
ONO 127 ± 3 | ||
| CH3NO3 | methyl nitrate | C-H 1.06 (ass.) C-O11.43 ± 0.05 O1-N 1.36 ± 0.05 N-O 1.26 ± 0.05 |
HCH 109.5 (ass.) CO1N 105 ± 5 ONO 125.3 (ass.) |
||
| CH3N3 | methyl azide | C-H 1.06 (ass.) C-N 1.47 ± 0.02 N-N1 1.24 ± 0.02 N1-N2 1.10 ± 0.02 |
CNN1 120 ± 5 HCH 109.5 (ass.) |
||
| CH4 | methane | C-H 1.091 | Td | ||
| CH4N2O | urea | N-H 1.036 ± 0.009 (revised estimate) | C2v | ||
| CH4O | methanol (methyl alcohol) | C-H 1.098 C-O 1.428 O-H 0.967 |
HCH 109.1 COH 107.3 |
||
| CH4S | methanethiol | H3C-S-H | C-H 1.1039 ± 0.0020 C-S 1.8177 ± 0.0002 S-H 1.3291 ± 0.0040 |
HCH 110.3 ± 0.2 HSC 100.3 ± 0.2 |
|
| CH5BF3N(s) | methylamine-boron trifluoride | a =1.58 b = c=1.38 d = 1.5 | bc = 111 ad = 114 ab = 108 ac = 108 bb = 110 | Cs | |
| CH5N | methylamine | H3C-NH2 | C-H 1.093 (ass.) C-N 1.474 ± 0.005 N-H 1.014 (ass.) |
HCH 109.5 ± 1 HNH 105.8 ± 1 CNH 112.2 ± 1 |
C1 |
| CH6Si | methylsilane | H3C-SiH3 | C-H 1.09 ± 0.02 C-Si 1.857 ± 0.007 Si-H 1.48 ± 0.02 |
HCH 109.5 ± 2 HSiH 112 ± 1.5 |
C3v |
| CIN | iodine cyanide (ICN) | C-I 1.995 C-N 1.159 |
C∞v | ||
| CI4 | carbon tetraiodide | C-I 2.15 ± 0.02 | Td | ||
| CN- | cyanide ion | in NH4 salt | C-N 1.14 | Cs | |
| CNS- | N-C-S in ammonium thiocyanate | C-S 1.59 C-N 1.25 | C1 | ||
| CN2- | N-C-N in calcium cyanamide | C-N 1.16 | |||
| CO | carbon monoxide | C-O 1.1282 | C∞v | ||
| [CO]+ | C-O 1.1151 | C∞v | |||
| COS | carbonyl sulphide | O-C 1.16 C-S 1.56 |
C∞v | ||
| COSe | carbonyl selenide | C-O 1.1588 ± 0.0001 C-Se 1.7090 ± 0.0001 |
C∞v | ||
| CO2 | carbon dioxide | C-O 1.1600 | D∞h | ||
| [CO3]2- (s) | in CaCO3 (calcite) | C-O 1.31 | D3h | ||
| CS2 | carbon disulphide | C-S 1.554 | D∞h | ||
| C2Cl2 | dichloroacetylene | C-Cl 1.64 C-C 1.195 | D∞h | ||
| C2Cl4 | tetrachloroethylene | C-Cl 1.72 ± 0.01 C-C 1.30 ± 0.03 |
ClCCl 113.5 ± 1.5 | D2h | |
| C2Cl6 | hexachloroethane | C-Cl 1.74 ± 0.01 C-C 1.57 ± 0.06 |
ClCCl 109.3 ± 0.5 | D3d | |
| C2HCl | chloroacetylene | C-H1.052 ± 0.001 C-C 1.211 ± 0.001 C-Cl 1 632 ± 0.001 |
C∞v | ||
| C2H2 | acetylene | C-H 1.063 C-C 1.201 |
D∞h | ||
| C2H2Cl2 (cis) | cis 1,2-dichloroethene | C-Cl 1.69 ± 0.02 C-C 1.38 (ass.) |
ClCCl 123.5 ± 1 | C2v | |
| C2H2Cl2 (trans) | trans 1,2-dichloroethene | C-Cl 1.69 ± 0.02 C-C 1.38 (ass.) |
ClCCl 122.5 ± 1 | C2h | |
| C2H2I2 (cis) | cis 1,2-diiodoethene | CHI-CHI | C-H 1.06 C-C 1.34 C-I 2.05 |
ICC 125.65 | C2v |
| C2H2I2 (trans) | trans 1,2-diiodoethene | CHI-CHI | C-H 1.06 C-C 1.34 C-I 2.05 |
ICC 121.25 | C2h |
| C2H2O | ketene | H2C-C-O | C-H 1.071 ± 0.003 C-C 1.329 ± 0.015 C-O 1.150 ± 0.015 |
HCH 123.3 ± 1.5 | C2v |
| C2H2O4 | oxalic acid | O-H 0.96 (ass.) a= 1.54 ± 0.06 b1 1.22 ± 0.02 b2 1.37 ± 0.02 |
b1b2125 ± 3 ab1 122 ± 5 |
||
| C2H3Cl | vinyl chloride | H2C-CH-Cl | C-H 1.07 ± 0.01 (ass.) C-C 1.34 ± 0.01 (ass.) C-Cl [1.736 ± 0.01] |
CCH 120 ± 1 CCCl [121.6 ± 1] |
Cs |
| C2H3ClO | acetyl chloride | H3C-CO-Cl | C-H 1.09 (ass.) C-C 1.50 ± 0.04 C-O 1.22 ± 0.04 C-Cl 1.77 ± 0.02 |
HCH 109.5 (ass.) CCCl 110 ± 3 OCCl 123 ± 3 |
|
| C2H3N | methyl cyanide (acetonitrile) | H3C-C-N | C-H 1.112 C-C 1.458 C-N 1.157 |
HCH 109.27 | |
| C2H3NO | methyl isocyanate | CH3-N-C1-O | C-H 1.09 (ass.) C-N 1.47 (ass.) N-C1 1.19 ± 0.03 C1-O 1.18 ± 0.03 |
CNC1 125 ± 5 NC1O 180 (ass.) HCH 109.5 (ass.) |
|
| C2H3NS | methyl thiocyanate | H3C-S-C1-N | C-H 1.09 C-S 1.81 S-C1 1.61 C1-N 1.21 |
HCS 109 CSC 142 SC1N 180 |
Cs |
| C2H3NS (iso) | methyl isothiocyanate | H3C-N-C1-S | C-H 1.09 C-N 1.47 N-C1 1.22 C1-S 1.56 | HCN 109 CNC 1.42 NC1S 180 | |
| C2H4 | ethylene | H2C-CH2 | C-H 1.071 ± 0.01 C-C 1.353 ± 0.01 | HCH 119.9 ± 0.5 | D2h |
| C2H4Br2 | 1,1-dibromoethane | C-H 1.09 (ass.) C-C 1.54 (ass.) C-Br 1.90 (ass.) | HCC 109.5 (ass.) BrCBr 113 ± 1 BrCC 114 ± 1.5 | Cs | |
| 1,2-dibromoethane | C-H 1.09 (ass.) C-C 1.54 (ass) C-Br 1.91 ± 0.02 | C2h | |||
| C2H4O | acetaldehyde | C-H 1.09 (ass.) C-C 1.50 ± 0.02 C-O 1.22 ± 0.02 | CCO 121 ± 2 | ||
| ethylene oxide | C-H 1.082 C-C 1.472 C-O 1.436 | HCH 116.7 | C2v | ||
| C2H4O2 | acetic acid | CH3-CO1-OH | C-C 1.54 ± 0.04 C-O1 1.24 ± 0.03 C-O 1.43 ± 0.03 | OCO1 130 ± 8 CCO1 120.5 ± 7.5 | Cs |
| C2H5NO | acetamide | CH3-CO-NH2 | C-O 1.21 ± 0.02 C-N 1.36 ± 0.02 C-C 1.53 ± 0.03 C-H 1.09 (ass.) N-H 1.02 (ass.) | NCO 125 ± 3 CCO 122 4 CCH 109.5 (ass.) CNH 107 (ass.) | |
| C2H6O | dimethyl ether | C-O 1.42 ± 0.03 | COC 111 ± 4 | C2v | |
| ethyl alcohol | C-H 1.09 (ass.) C-C 1.54 (ass.) C-O 1.48 ± 0.04 | HCH 109.5 (ass.) CCO 109.5 ± 3 | Cs | ||
| C2H6O2 | ethylene glycol | HO-CH2-CH2-OH | C-H 1.08 (ass.) C-C 1.54 (ass.) C-O 1.43 (ass.) | CCO 109.5 (ass.) | C2 |
| dimethyl peroxide | H3C-O-O-CH3 | (C-O (average) 1.44 ± 0.02 | (COO 105 ± 3) | C2 | |
| C2H6S | ethanethiol | H3C-CH2-SH | (C-C 1.54 ± 0.02) (C-S 1.81 ± 0.01) | (CCS 113 ± 2) | Cs |
| C2N2 | cyanogen (dicyanogen) | N-C-C-N | C-N 1.157 (ass.) C-C 1.380 | D∞h | |
| C3H4 | allene (propadiene) | H2C-C-CH2 | C-H 1.08 C-C 1.300 ± 0.005 | HCH 111 | D2d |
| C3H6O | acetone | (CH3)2CO | C-H 1.10 (ass.) C-C 1.55 ± 0.02 C-O 1.22 ± 0.03 | HCH 109.5 (ass.) CCO 119.6 ± 3 | |
| C3H6O2 | methyl acetate | C-H 1.09 (ass.) a = 1.52 ± 0.04 b1 = 1.36 ± 0.04 b2 = 1.46 ± 0.04 b3 = 1.22 ± 0.03 | HCH 109.5 (ass.) ab1 = 116 ± 3 b1b3 124 ± 4 b1b2 113 ± 3 | ||
| C6H6 | benzene | C-H 1.084 ± 0.006 C-C 1.397 | D6h |
ass. = assumed parameter
( ) = preliminary results
(s) = in crystalline state
Reference: Tables of Interatomic Distances and Configuration in Molecules and Ions, L.E. Sutton, ed., London: The Chemical Society, 1958.