Table 2.

Comparison of N/O–H⋯O hydrogen bond interactions of fluvoxamine (FXM) maleate in free form and in complex with β-cyclodextrin (β-CD) dimer (Å, °).

D−H⋯A	D−H	H⋯A	D⋯A	∠(DHA)	D−H⋯A	D−H	H⋯A	D⋯A	∠(DHA)
Free FXM (1)a					β-CD–FXM (2)a
N2X–H1⋯O1Ii,b	0.89	1.92	2.804(4)	170.5	N2M–H1⋯O21_1	0.89	2.27	2.99(2)	138.1
N2X–H2⋯O2Iii	0.89	1.99	2.855(4)	162.6	N2M–H1⋯O31_1	0.89	2.29	2.99(2)	135.4
N2X–H3⋯O4J	0.89	1.93	2.800(4)	166.6	N2M–H2⋯O4Wiv	0.89	2.14	2.86(3)	136.9
N2Y–H1⋯O1J	0.89	1.90	2.790(4)	176.7	N2M–H3⋯O5WC	0.89	2.07	2.95(2)	169.1
N2Y–H2⋯O2K	0.89	2.00	2.847(4)	157.8	N2N–H2⋯O34_1	0.89	1.95	2.68(2)	137.9
N2Y–H3⋯O4Kiii	0.89	1.92	2.795(4)	168.7	N2N–H2⋯O1Lv	0.89	2.17	2.90(3)	139.0
N2Z–H1⋯O4Iii	0.89	1.93	2.805(4)	166.6	N2N–H2⋯O5WA	0.89	2.14	2.91(3)	144.3
N2Z–H2⋯O3J	0.89	2.00	2.859(4)	163.1	O34_2–H⋯O2N	0.82	2.02	2.72(2)	142.6
N2Z–H3⋯O1K	0.89	1.91	2.796(4)	172.4
O3I–H⋯O2I	0.82	1.65	2.468(3)	174.1
O3J–H⋯O2J	0.82	1.66	2.476(3)	177.0
O3K–H⋯O2K	0.82	1.66	2.465(3)	165.1

^aFor atom numbering of 1 and 2, see Fig. 1, Fig. 2 and Section 3.1.

^bEquivalent positions: (i) −x + 1.5, −y + 0.5, −z + 1; (ii) x, y + 1, z; (iii) −x + 1, −y + 1, −z + 1; (iv) x, y − 1, z; (v) x, y + 1, z.