Account

Table 5 Selected torsion angles (°) of conformers in the gas phase for molecules 1–4

From: Derivatives of benzo[b]furan. Part II. Structural studies of derivatives of 2- and 3-benzo[b]furancarboxylic acids

	C(=O)CH₃		COOH/COOCH₃		OCH₃
1.1	O5–C8–C7–C6	−48.2	O2–C11–C2–C3	−177.5	C12–O4–C6–C5	−5.7
1.2		46.6		−176.6		0.5
1.3		−50.1		1.0		−5.9
1.4		−138.8		0.8		0.7
2.1		0.0		180.0
2.2		0.0		0.0
2.3		0.0		180.0
2.4		0.4		159.3
3.1	O5–C8–C6–C5	0.0	O2–C11–C3–C2	0.0
3.2		0.0		180.0
3.3		−0.1		−28.6
3.4		0.0		−22.8
4.1		0.0		0.0
4.2		0.0		180.0

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