C2Cl2FNS-1

Dichlorofluoromethyl thiocyanate, CCl₂FSCN

Experimental GED r_e structure <bib id="MartinezJMS2017" />.

Gauche-conformer (79 <math>\pm</math> 11 % @ 307 K)

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7 Refined from GED data r_e structure of gauche conformer C 0.438946763159 0.012373478598 0.227448346888 S -0.750678236168 -1.105517560244 -0.565866629135 C -2.138704393649 -0.306259858773 -0.047380676926 N -3.127384680743 0.204223341838 0.282227895635 F 0.217093948632 0.077673094552 1.545349776304 Cl 0.358097062204 1.634911916360 -0.432878408809 Cl 2.045939199839 -0.647264334775 -0.064138767020

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Anti-conformer (21 <math>\pm</math> 11 % @ 307 K)

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7 Refined from GED data r_e structure of anti conformer C 0.629008912300 0.000000000000 0.245487725614 S -0.908641129080 0.000000000000 1.229089803402 C -1.977821943233 0.000000000000 -0.064802818946 N -2.761598562665 0.000000000000 -0.920664332668 F 1.595743890610 0.000000000000 1.180742388397 Cl 0.766270178126 1.451312190685 -0.729289784934 Cl 0.766270178126 -1.451312190685 -0.729289784934

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