Table 1.

Crystal data, data collection and refinement parameters for IDHP monomer 1c.

Crystal data
C23H25BrN2O5
Mr = 489.36	Dx = 1.459 Mg m− 3
Monoclinic, C2/c	Melting point: ? K
a = 17.6211 (9) Å	radiation, λ = 0.71073 Å
b = 15.3041 (8) Å	Cell parameters from 323 reflections
c = 17.9370 (9) Å	θ = 3.4–28.4°
β = 112.8770 (6)°	μ = 1.88 mm− 1
V = 4456.7 (4) Å3	T = 100 K
Z = 8	Prism, clear pale yellow
F(000) = 2016	0.52 × 0.51 × 0.24 mm
Data collection
Bruker SMART BREEZE CCD diffractometer	4567 independent reflections
Radiation source: Mo Kα	4179 reflections with I > 2σ (I) Rint = 0.021
Detector resolution: 8.3333 pixels mm− 1	θ max = 26.4°, θ min = 1.8°
Absorption correction: numerical SADABS V2012/1 (Bruker AXS Inc.)	h = − 2221
Tmin = 0.41, Tmax = 0.66	k = − 1919
24,782 measured reflections	l = − 2222
Refinement
Refinement on F2
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ (F2)] = 0.035	H-atom parameters constrained
wR(F2) = 0.098	$w=1/[{\mathrm{\sigma }}^2(F_{\mathrm{o}}^2)+{(0.0521P)}^2+9.9351P]$ where $P=(F_{\mathrm{o}}^2+2F_{\mathrm{c}}^2)/3$
S = 1.07	(Δ /σ )max = 0.002
4567 reflections	Δ ρ max = 1.46 e Å− 3
285 parameters	Δ ρ min = − 0.45 e Å− 3
80 restraints	Extinction correction: none