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. 2022 Jul 20;34(2):639–653. doi: 10.1007/s11224-022-02006-x

Table 6.

Intermolecular hydrogen-bond parameters (Å, °) in 2d, 2f, 2c, 4a, 4b, and 5

Compound D—H···A D—H (Å) H···A (Å) D···A (Å) D—H···A (°)
2d

N(6)—H(6A)···N(27)i

N(26)—H(26A)···N(7)ii

N(6)—H(6B)···O(22)iii

N(26)—H(26B)···O(2)iv

0.89(3)

0.87(3)

0.87(3)

0.88(3)

2.22(3)

2.41(3)

2.25(3)

2.31(4)

3.098(4)

3.252(4)

3.016(3)

3.098(3)

169(3)

164(2)

147(3)

150(3)

2f

N(6)—H(6A)···N(7)v

N(6)—H(6B)···O(2)vi

0.87(3)

0.92(2)

2.68(2)

2.05(2)

3.358(2)

2.960(2)

136(2)

168(2)

2c N(2)—H(2B)···N(3)vii 0.87(2) 2.31(2) 3.1177(18) 153.6(17)
4a

N(10A)—H(3)···N(11B)

N(10B)—H(1)···N(11A)viii

N(10A)—H(2)···N(5B)

N(10B)—H(10)···N(5A)viii

0.88(3)

0.91(4)

0.85(3)

0.86(3)

2.39(2)

2.50(3)

2.47(3)

2.28(3)

3.048(3)

3.162(3)

3.306(3)

3.143(3)

132(2)

130(3)

168(3)

172(2)

4b N(2)—H(2B)···N(3)ix 0.878(14) 2.160(14) 3.0374(10) 177.7(13)
5

N(1)—H(1)···N(5)x

N(4)—H(2)···O(1)xi

0.845(17)

0.876(19)

2.294(17)

2.29(2)

3.1190(15)

2.9556(16)

165.3(16)

132.9(16)

Symmetry codes: (i) x + 1, y, z − 1; (ii) x − 1, y, z + 1; (iii) x, y, z − 1; (iv) x, y, z + 1; (v) − x + 1, y + 1/2, − z + 3/2; (vi) − x + 1, y − 1/2, − z + 3/2; (vii) − x + 1, − y, − z + 1; (viii) x − 1, y, z; (ix) − x + 2, − y + 1, − z + 1; (x) − x, − y + 1, − z + 1; (xi) − x + 1, − y + 1, − z + 1