4a	4b
Crystal data
Chemical formula	C32H32BrN2O2 +·C7H5O2 −·1.166H2O	C32H32BrN2O2 +·C7H5O2 −·0.742C2H3N·H2O
M r	698.70	726.10
Crystal system, space group	Monoclinic, P21	Monoclinic, P21
a, b, c (Å)	12.6384 (5), 7.9259 (3), 17.5249 (8)	12.8661 (8), 8.0386 (5), 17.4704 (10)
α, β, γ (°)	90, 99.8450 (17), 90	90, 101.093 (3), 90
V (Å3)	1729.63 (12)	1773.13 (19)
Z	2	2
Radiation type	Mo Kα	Cu Kα
μ (mm−1)	1.24	1.97
Crystal size (mm)	0.55 × 0.21 × 0.13	0.31 × 0.05 × 0.05
Data collection
Diffractometer	Bruker D8 Quest diffractometer with PhotonII charge-integrating pixel array detector (CPAD)	Bruker D8 Quest diffractometer with PhotonIII_C14 charge-integrating and photon counting pixel array detector
T min, T max	0.638, 0.746	0.599, 0.754
No. of measured, independent and observed [I > 2σ(I)] reflections	80228, 13080, 10456	39739, 7360, 6750
R int	0.049	0.060
(sin θ/λ)max (Å−1)	0.770	0.639
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S	0.032, 0.073, 1.03	0.035, 0.085, 1.06
No. of reflections	13080	7360
No. of parameters	445	515
No. of restraints	5	195
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement	H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3)	0.36, −0.48	0.40, −0.50
Absolute structure	Flack x determined using 4051 quotients [(I +) − (I −)]/[(I +) + (I −)] (Parsons et al., 2013 ▸)	Flack x determined using 2778 quotients [(I +) − (I −)]/[(I +) + (I −)] (Parsons et al., 2013 ▸)
Absolute structure parameter	0.006 (3)	0.004 (8)

Computer programs: APEX3 (Bruker, 2019 ▸), SAINT (Bruker, 2019 ▸), SHELXS97 (Sheldrick, 2008 ▸), SHELXL2018 (Sheldrick, 2015 ▸), shelXle (Hübschle et al., 2011 ▸), Mercury (Macrae et al., 2020 ▸) and publCIF (Westrip, 2010 ▸).