Table 2. Summary of Average Bond Angles and Distances of Triazolium Salts 7a–k (n = 1); 8a–c, 8i, 8k (n = 2); 9a–c, 9k (n = 3) Obtained from Single-Crystal X-ray Structural Analysis.

	triazolium salts: average angles and distancesb
		n = 1	n = 2	n = 3	n = 1 vs n = 2c	n = 2 vs n = 3d
bond angles (deg)a	CβC5N4	110.6 [0.5]	122.2 [0.5]	124.2 [0.5]	11.6	2.0
	C5N4Cα	113.7 [0.4]	125.6 [0.7]	127.6 [0.3]	11.8	2.0
	N4C5N1	111.9 [0.2]	111.3 [0.6]	110.7 [0.2]	–0.6	–0.6
	C3N4C5	107.4 [0.2]	106.9 [0.5]	106.9 [0.3]	–0.5	0.0
	N1N2C3	111.9 [0.4]	111.7 [0.4]	110.8 [0.7]	–0.2	–0.9
	N2C3N4	106.1 [0.3]	106.8 [0.3]	107.4 [0.3]	0.8	0.6
	C5N1N2	102.8 [0.3]	103.3 [0.1]	104.1 [0.4]	0.6	0.7
distance (Å)	H1H2e	3.06 [0.04]	2.76 [0.02]	2.49 [0.03]	–0.31	–0.26
	H1H3e	3.29 [0.05]	3.09 [0.03]	3.37 [0.05]	–0.19	0.28
torsion angle (deg)	H1C3CαH2e	43.6 [1.9]	38.2 [2.3]	1.7 [0.9]	–5.4	–36.5
	H1C3CαH3e	69.6 [1.6]	70.9 [2.2]	105.3 [1.6]	1.3	34.4

^aAverage of bond angle values obtained by X-ray diffraction measurement for triazolium salts 7a–k (n = 1); 8a–c, 8i, 8k (n = 2); 9–c, 9k (n = 3).

^bStandard deviation of average values is shown in square brackets.

^cDifference = Average(n = 2) – Average(n = 1).

^dDifference = Average(n = 3) – Average(n = 2).

^eThe C^α hydrogens with the shorter and longer through-space distances from H¹ are labeled as H² and H³, respectively.