Aqua-[N-(1-naphth-yl)acetamido-κN]bis-[2-(2-pyrid-yl)phenyl-κN,C]iridium(III) ethyl-ene glycol hemisolvate.

In the title compound, [Ir(C(11)H(8)N)(2)(C(12)H(10)NO)(H(2)O)]·0.5C(2)H(6)O(2), the iridium center is coordinated by two N atoms and two C atoms from two 2-(2-pyrid-yl)phenyl (ppy) ligands, one N atom from the N-(1-naphth-yl)acetamide ligand and one water O atom, forming a distorted octa-hedral environment. Mol-ecules are linked by inter-molecular O-H⋯O hydrogen bonds formed by the coordinated water mol-ecule and the amide O atom of the N-(1-naphth-yl)acetamide ligands.

Related literature

For related literature, see: Adachi et al. (2000 ▶); Lamansky et al. (2001 ▶); Beeby et al. (2003 ▶); You & Park (2005 ▶); Baldo et al. (1998 ▶).

Experimental

Crystal data

[Ir(C11H8N)2(C12H10NO)(H2O)]·0.5C2H6O2

M = 733.83

Triclinic,

a = 10.097 (4) Å

b = 10.888 (4) Å

c = 14.453 (5) Å

α = 95.580 (7)°

β = 92.940 (7)°

γ = 107.423 (6)°

V = 1503.4 (10) Å3

Z = 2

Mo Kα radiation

μ = 4.48 mm−1

T = 273 (2) K

0.12 × 0.10 × 0.06 mm

Data collection

Bruker SMART CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.615, T max = 0.775

7940 measured reflections

5269 independent reflections

4451 reflections with I > 2σ(I)

R int = 0.027

Refinement

R[F 2 > 2σ(F 2)] = 0.038

wR(F 2) = 0.093

S = 1.00

5269 reflections

381 parameters

H-atom parameters constrained

Δρmax = 0.74 e Å−3

Δρmin = −0.91 e Å−3

Data collection: APEX2 (Bruker, 2005 ▶); cell refinement: APEX2; data reduction: APEX2; program(s) used to solve structure: SIR97 (Altomare et al., 1999 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: WinGX (Farrugia, 1999 ▶).

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808010040/sg2232sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808010040/sg2232Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Ir(C11H8N)2(C12H10NO)(H2O1)]·0.5C2H6O2	Z = 2
Mr = 733.83	F000 = 726
Triclinic, P1	Dx = 1.621 Mg m−3
a = 10.097 (4) Å	Mo Kα radiation λ = 0.71073 Å
b = 10.888 (4) Å	Cell parameters from 2801 reflections
c = 14.453 (5) Å	θ = 2.3–22.3º
α = 95.580 (7)º	µ = 4.48 mm−1
β = 92.940 (7)º	T = 273 (2) K
γ = 107.423 (6)º	Block, green
V = 1503.4 (10) Å3	0.12 × 0.10 × 0.06 mm

Bruker SMART CCD area-detector diffractometer	5269 independent reflections
Radiation source: fine-focus sealed tube	4451 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.027
T = 273(2) K	θmax = 25.1º
φ and ω scans	θmin = 2.0º
Absorption correction: multi-scan(SADABS; Sheldrick, 1996)	h = −11→12
Tmin = 0.615, Tmax = 0.775	k = −12→12
7940 measured reflections	l = −17→8

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.038	H-atom parameters constrained
wR(F2) = 0.093	w = 1/[σ2(Fo2) + (0.05P)2 + 0.001P]
S = 1.00	(Δ/σ)max = 0.004
5269 reflections	Δρmax = 0.74 e Å−3
381 parameters	Δρmin = −0.90 e Å−3
Primary atom site location: structure-invariant direct methods	Extinction correction: none

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

	x	y	z	Uiso*/Ueq
Ir1	0.13408 (3)	0.89887 (2)	0.175881 (18)	0.03749 (11)
O1	0.1828 (5)	1.1138 (5)	0.0220 (4)	0.0639 (15)
O2	−0.0027 (5)	1.0120 (4)	0.1312 (3)	0.0525 (12)
H37	0.0550	1.0351	0.0906	0.063*
H36	−0.0767	0.9641	0.0998	0.063*
O3	0.9250 (19)	0.519 (2)	0.6241 (11)	0.287 (10)
H3	0.9913	0.5173	0.6586	0.431*
N1	0.3081 (5)	1.0563 (5)	0.1332 (4)	0.0443 (14)
N2	0.1680 (6)	0.9878 (5)	0.3092 (4)	0.0425 (13)
N3	0.0900 (6)	0.7881 (5)	0.0484 (4)	0.0461 (14)
C1	0.4217 (8)	1.2363 (8)	0.0431 (6)	0.068 (2)
H1A	0.4089	1.2499	−0.0210	0.102*
H1B	0.5047	1.2118	0.0525	0.102*
H1C	0.4303	1.3149	0.0826	0.102*
C2	0.2964 (7)	1.1287 (6)	0.0672 (5)	0.0473 (17)
C3	0.4419 (8)	1.0810 (8)	0.1841 (6)	0.059 (2)
C4	0.5249 (8)	1.0024 (8)	0.1629 (6)	0.068 (2)
H4	0.4975	0.9413	0.1104	0.082*
C5	0.6484 (9)	1.0104 (12)	0.2166 (9)	0.096 (4)
H5	0.7011	0.9557	0.2010	0.116*
C6	0.6883 (11)	1.1041 (14)	0.2944 (9)	0.106 (5)
H6	0.7689	1.1116	0.3316	0.127*
C7	0.6075 (9)	1.1888 (10)	0.3179 (6)	0.073 (3)
C8	0.4834 (8)	1.1748 (8)	0.2611 (5)	0.059 (2)
C9	0.4042 (10)	1.2587 (8)	0.2848 (6)	0.068 (2)
H9	0.3225	1.2530	0.2496	0.081*
C10	0.4520 (13)	1.3486 (10)	0.3613 (7)	0.104 (4)
H10	0.4020	1.4052	0.3782	0.125*
C11	0.5746 (15)	1.3572 (13)	0.4147 (8)	0.115 (5)
H11	0.6039	1.4191	0.4667	0.138*
C12	0.6483 (12)	1.2812 (13)	0.3937 (8)	0.099 (4)
H12	0.7295	1.2894	0.4305	0.119*
C13	0.1079 (8)	1.0713 (7)	0.3443 (5)	0.0556 (19)
H13	0.0478	1.0968	0.3049	0.067*
C14	0.1302 (10)	1.1234 (8)	0.4373 (6)	0.071 (2)
H14	0.0854	1.1822	0.4595	0.085*
C15	0.2177 (10)	1.0875 (9)	0.4957 (6)	0.074 (3)
H15	0.2348	1.1218	0.5582	0.089*
C16	0.2797 (9)	1.0009 (9)	0.4610 (6)	0.069 (2)
H16	0.3401	0.9758	0.5003	0.082*
C17	0.2551 (7)	0.9484 (7)	0.3676 (5)	0.0512 (19)
C18	0.3088 (7)	0.8496 (7)	0.3221 (5)	0.0519 (19)
C19	0.4038 (8)	0.7965 (9)	0.3665 (6)	0.066 (2)
H19	0.4368	0.8249	0.4285	0.079*
C20	0.4466 (9)	0.7041 (9)	0.3180 (8)	0.081 (3)
H20	0.5100	0.6702	0.3469	0.097*
C21	0.3967 (9)	0.6599 (8)	0.2261 (7)	0.074 (3)
H21	0.4255	0.5954	0.1940	0.089*
C22	0.3047 (8)	0.7107 (7)	0.1820 (6)	0.0573 (19)
H22	0.2724	0.6794	0.1202	0.069*
C23	0.2586 (7)	0.8065 (6)	0.2264 (5)	0.0430 (16)
C24	0.1684 (8)	0.8064 (7)	−0.0248 (5)	0.0557 (19)
H24	0.2491	0.8768	−0.0192	0.067*
C25	0.1343 (11)	0.7259 (8)	−0.1069 (6)	0.073 (3)
H25	0.1924	0.7396	−0.1553	0.088*
C26	0.0123 (12)	0.6241 (8)	−0.1167 (7)	0.085 (3)
H26	−0.0140	0.5683	−0.1720	0.102*
C27	−0.0684 (10)	0.6070 (8)	−0.0442 (6)	0.074 (3)
H27	−0.1516	0.5393	−0.0508	0.089*
C28	−0.0306 (8)	0.6881 (7)	0.0407 (5)	0.0534 (19)
C29	−0.1027 (7)	0.6709 (6)	0.1252 (5)	0.0500 (18)
C30	−0.2245 (8)	0.5705 (7)	0.1320 (7)	0.062 (2)
H30	−0.2696	0.5151	0.0792	0.074*
C31	−0.2773 (8)	0.5542 (8)	0.2165 (7)	0.072 (3)
H31	−0.3583	0.4871	0.2212	0.087*
C32	−0.2111 (8)	0.6368 (8)	0.2951 (7)	0.070 (2)
H32	−0.2468	0.6240	0.3527	0.083*
C33	−0.0919 (8)	0.7385 (7)	0.2885 (6)	0.059 (2)
H33	−0.0501	0.7947	0.3418	0.071*
C34	−0.0326 (6)	0.7588 (6)	0.2036 (5)	0.0426 (16)
C35	0.9687 (19)	0.537 (2)	0.5300 (13)	0.197 (10)
H35A	0.8860	0.5390	0.4936	0.237*
H35B	1.0322	0.6249	0.5357	0.237*

	U11	U22	U33	U12	U13	U23
Ir1	0.03596 (15)	0.03611 (15)	0.03817 (16)	0.00916 (10)	−0.00124 (10)	0.00195 (10)
O1	0.057 (3)	0.066 (3)	0.067 (4)	0.013 (3)	−0.012 (3)	0.025 (3)
O2	0.048 (3)	0.057 (3)	0.057 (3)	0.024 (2)	−0.001 (2)	0.004 (2)
O3	0.33 (2)	0.33 (2)	0.175 (13)	0.053 (18)	−0.046 (15)	0.122 (15)
N1	0.039 (3)	0.044 (3)	0.046 (3)	0.009 (2)	−0.004 (3)	0.004 (3)
N2	0.042 (3)	0.038 (3)	0.043 (3)	0.007 (2)	0.004 (3)	0.000 (3)
N3	0.048 (3)	0.039 (3)	0.048 (4)	0.012 (3)	−0.007 (3)	0.001 (3)
C1	0.068 (5)	0.064 (5)	0.062 (5)	0.001 (4)	0.003 (4)	0.018 (4)
C2	0.047 (4)	0.040 (4)	0.051 (4)	0.009 (3)	0.007 (3)	0.002 (3)
C3	0.048 (4)	0.060 (5)	0.058 (5)	−0.001 (4)	0.000 (4)	0.016 (4)
C4	0.056 (5)	0.071 (6)	0.084 (6)	0.021 (4)	0.022 (5)	0.023 (5)
C5	0.048 (5)	0.131 (10)	0.125 (10)	0.031 (6)	0.018 (6)	0.069 (8)
C6	0.057 (6)	0.158 (12)	0.088 (8)	−0.007 (7)	−0.003 (6)	0.069 (8)
C7	0.047 (5)	0.094 (7)	0.059 (6)	−0.013 (5)	−0.006 (4)	0.029 (5)
C8	0.051 (4)	0.068 (5)	0.044 (5)	−0.007 (4)	0.001 (4)	0.019 (4)
C9	0.075 (6)	0.055 (5)	0.057 (5)	−0.002 (4)	0.014 (4)	0.000 (4)
C10	0.129 (9)	0.087 (7)	0.056 (6)	−0.025 (7)	0.005 (6)	−0.001 (5)
C11	0.131 (12)	0.105 (10)	0.056 (7)	−0.035 (8)	−0.007 (7)	0.000 (6)
C12	0.086 (8)	0.115 (10)	0.067 (8)	−0.009 (7)	−0.010 (6)	0.015 (7)
C13	0.052 (4)	0.053 (4)	0.055 (5)	0.007 (4)	0.008 (4)	0.000 (4)
C14	0.082 (6)	0.064 (5)	0.059 (6)	0.014 (5)	0.022 (5)	−0.006 (4)
C15	0.086 (7)	0.073 (6)	0.051 (5)	0.009 (5)	0.011 (5)	−0.007 (5)
C16	0.070 (6)	0.081 (6)	0.041 (5)	0.003 (5)	−0.006 (4)	0.002 (4)
C17	0.045 (4)	0.055 (4)	0.045 (4)	0.000 (3)	0.000 (3)	0.012 (4)
C18	0.041 (4)	0.056 (4)	0.053 (5)	0.004 (3)	−0.003 (3)	0.013 (4)
C19	0.052 (5)	0.080 (6)	0.062 (5)	0.012 (4)	−0.009 (4)	0.030 (5)
C20	0.067 (6)	0.083 (7)	0.108 (8)	0.041 (5)	−0.004 (6)	0.034 (6)
C21	0.075 (6)	0.060 (5)	0.099 (8)	0.034 (5)	0.002 (5)	0.020 (5)
C22	0.058 (5)	0.056 (5)	0.061 (5)	0.022 (4)	0.005 (4)	0.006 (4)
C23	0.036 (3)	0.033 (3)	0.054 (4)	0.001 (3)	0.001 (3)	0.005 (3)
C24	0.069 (5)	0.055 (5)	0.042 (4)	0.017 (4)	0.009 (4)	0.004 (4)
C25	0.122 (8)	0.061 (5)	0.044 (5)	0.037 (5)	0.011 (5)	0.006 (4)
C26	0.140 (10)	0.052 (5)	0.058 (6)	0.028 (6)	−0.011 (6)	−0.008 (4)
C27	0.087 (6)	0.061 (5)	0.061 (6)	0.009 (5)	−0.015 (5)	−0.005 (4)
C28	0.062 (5)	0.044 (4)	0.050 (5)	0.015 (4)	−0.013 (4)	0.000 (3)
C29	0.043 (4)	0.040 (4)	0.063 (5)	0.008 (3)	0.000 (4)	0.000 (3)
C30	0.045 (4)	0.051 (5)	0.081 (6)	0.004 (4)	−0.004 (4)	0.003 (4)
C31	0.050 (5)	0.051 (5)	0.107 (8)	−0.002 (4)	0.019 (5)	0.021 (5)
C32	0.055 (5)	0.070 (6)	0.087 (7)	0.016 (4)	0.029 (5)	0.022 (5)
C33	0.049 (4)	0.052 (4)	0.074 (6)	0.012 (4)	0.016 (4)	0.000 (4)
C34	0.031 (3)	0.049 (4)	0.054 (4)	0.022 (3)	0.006 (3)	0.007 (3)
C35	0.17 (2)	0.18 (2)	0.23 (3)	0.073 (13)	−0.10 (2)	−0.035 (17)

Ir1—C23	1.982 (7)	C13—H13	0.9300
Ir1—C34	1.993 (7)	C14—C15	1.356 (12)
Ir1—N1	2.217 (5)	C14—H14	0.9300
Ir1—N2	2.035 (6)	C15—C16	1.351 (12)
Ir1—N3	2.052 (6)	C15—H15	0.9300
Ir1—O2	2.219 (4)	C16—C17	1.393 (10)
O1—C2	1.249 (8)	C16—H16	0.9300
O2—H37	0.8500	C17—C18	1.459 (11)
O2—H36	0.8500	C18—C19	1.417 (10)
O3—C35	1.47 (2)	C18—C23	1.432 (10)
O3—H3	0.8200	C19—C20	1.358 (12)
N1—C2	1.318 (8)	C19—H19	0.9300
N1—C3	1.443 (9)	C20—C21	1.381 (13)
N2—C13	1.313 (9)	C20—H20	0.9300
N2—C17	1.374 (9)	C21—C22	1.375 (10)
N3—C24	1.348 (9)	C21—H21	0.9300
N3—C28	1.360 (9)	C22—C23	1.382 (10)
C1—C2	1.527 (10)	C22—H22	0.9300
C1—H1A	0.9600	C24—C25	1.368 (10)
C1—H1B	0.9600	C24—H24	0.9300
C1—H1C	0.9600	C25—C26	1.378 (13)
C3—C8	1.389 (11)	C25—H25	0.9300
C3—C4	1.390 (11)	C26—C27	1.354 (13)
C4—C5	1.411 (12)	C26—H26	0.9300
C4—H4	0.9300	C27—C28	1.403 (11)
C5—C6	1.397 (16)	C27—H27	0.9300
C5—H5	0.9300	C28—C29	1.453 (11)
C6—C7	1.432 (16)	C29—C30	1.394 (10)
C6—H6	0.9300	C29—C34	1.415 (9)
C7—C12	1.368 (14)	C30—C31	1.363 (12)
C7—C8	1.423 (11)	C30—H30	0.9300
C8—C9	1.413 (12)	C31—C32	1.382 (12)
C9—C10	1.365 (12)	C31—H31	0.9300
C9—H9	0.9300	C32—C33	1.386 (10)
C10—C11	1.399 (16)	C32—H32	0.9300
C10—H10	0.9300	C33—C34	1.401 (10)
C11—C12	1.293 (16)	C33—H33	0.9300
C11—H11	0.9300	C35—C35i	1.426 (18)
C12—H12	0.9300	C35—H35A	0.9700
C13—C14	1.388 (11)	C35—H35B	0.9700
C23—Ir1—C34	90.5 (2)	C15—C14—C13	119.3 (9)
C23—Ir1—N2	81.7 (3)	C15—C14—H14	120.3
C34—Ir1—N2	93.3 (3)	C13—C14—H14	120.3
C23—Ir1—N3	94.7 (3)	C16—C15—C14	118.5 (8)
C34—Ir1—N3	80.7 (3)	C16—C15—H15	120.8
N2—Ir1—N3	172.9 (2)	C14—C15—H15	120.8
C23—Ir1—N1	93.8 (2)	C15—C16—C17	121.5 (8)
C34—Ir1—N1	174.7 (2)	C15—C16—H16	119.2
N2—Ir1—N1	90.5 (2)	C17—C16—H16	119.2
N3—Ir1—N1	95.8 (2)	N2—C17—C16	119.1 (8)
C23—Ir1—O2	175.1 (2)	N2—C17—C18	113.6 (6)
C34—Ir1—O2	89.9 (2)	C16—C17—C18	127.3 (7)
N2—Ir1—O2	93.5 (2)	C19—C18—C23	120.1 (8)
N3—Ir1—O2	90.2 (2)	C19—C18—C17	124.4 (7)
N1—Ir1—O2	86.04 (19)	C23—C18—C17	115.5 (6)
Ir1—O2—H37	85.0	C20—C19—C18	119.8 (8)
Ir1—O2—H36	112.0	C20—C19—H19	120.1
H37—O2—H36	104.4	C18—C19—H19	120.1
C35—O3—H3	109.5	C19—C20—C21	120.6 (8)
C2—N1—C3	118.9 (6)	C19—C20—H20	119.7
C2—N1—Ir1	124.8 (4)	C21—C20—H20	119.7
C3—N1—Ir1	116.3 (4)	C22—C21—C20	120.3 (9)
C13—N2—C17	118.6 (6)	C22—C21—H21	119.8
C13—N2—Ir1	125.8 (5)	C20—C21—H21	119.8
C17—N2—Ir1	115.4 (5)	C21—C22—C23	122.3 (8)
C24—N3—C28	119.5 (6)	C21—C22—H22	118.9
C24—N3—Ir1	126.1 (5)	C23—C22—H22	118.9
C28—N3—Ir1	114.3 (5)	C22—C23—C18	116.9 (6)
C2—C1—H1A	109.5	C22—C23—Ir1	129.3 (6)
C2—C1—H1B	109.5	C18—C23—Ir1	113.8 (5)
H1A—C1—H1B	109.5	N3—C24—C25	122.8 (8)
C2—C1—H1C	109.5	N3—C24—H24	118.6
H1A—C1—H1C	109.5	C25—C24—H24	118.6
H1B—C1—H1C	109.5	C24—C25—C26	118.8 (9)
O1—C2—N1	121.9 (6)	C24—C25—H25	120.6
O1—C2—C1	116.8 (6)	C26—C25—H25	120.6
N1—C2—C1	121.3 (6)	C27—C26—C25	118.6 (9)
C8—C3—C4	118.9 (8)	C27—C26—H26	120.7
C8—C3—N1	120.5 (8)	C25—C26—H26	120.7
C4—C3—N1	120.4 (7)	C26—C27—C28	122.1 (8)
C3—C4—C5	123.5 (10)	C26—C27—H27	118.9
C3—C4—H4	118.2	C28—C27—H27	118.9
C5—C4—H4	118.2	N3—C28—C27	118.1 (8)
C6—C5—C4	117.1 (11)	N3—C28—C29	115.4 (6)
C6—C5—H5	121.4	C27—C28—C29	126.3 (7)
C4—C5—H5	121.4	C30—C29—C34	121.9 (7)
C5—C6—C7	121.3 (10)	C30—C29—C28	123.7 (7)
C5—C6—H6	119.4	C34—C29—C28	114.2 (6)
C7—C6—H6	119.4	C31—C30—C29	119.7 (8)
C12—C7—C8	120.5 (11)	C31—C30—H30	120.2
C12—C7—C6	120.8 (10)	C29—C30—H30	120.2
C8—C7—C6	118.6 (10)	C30—C31—C32	120.4 (7)
C3—C8—C9	121.2 (7)	C30—C31—H31	119.8
C3—C8—C7	120.5 (9)	C32—C31—H31	119.8
C9—C8—C7	118.3 (9)	C31—C32—C33	120.2 (8)
C10—C9—C8	117.7 (10)	C31—C32—H32	119.9
C10—C9—H9	121.2	C33—C32—H32	119.9
C8—C9—H9	121.2	C32—C33—C34	121.6 (8)
C9—C10—C11	121.4 (13)	C32—C33—H33	119.2
C9—C10—H10	119.3	C34—C33—H33	119.2
C11—C10—H10	119.3	C33—C34—C29	116.2 (6)
C12—C11—C10	121.7 (12)	C33—C34—Ir1	129.1 (5)
C12—C11—H11	119.2	C29—C34—Ir1	114.7 (5)
C10—C11—H11	119.2	C35i—C35—O3	130 (3)
C11—C12—C7	120.5 (12)	C35i—C35—H35A	104.8
C11—C12—H12	119.8	O3—C35—H35A	104.8
C7—C12—H12	119.8	C35i—C35—H35B	104.8
N2—C13—C14	122.9 (8)	O3—C35—H35B	104.8
N2—C13—H13	118.5	H35A—C35—H35B	105.8
C14—C13—H13	118.5

D—H···A	D—H	H···A	D···A	D—H···A
O2—H36···O1ii	0.85	1.98	2.756 (7)	150
O2—H36···O1ii	0.85	1.98	2.756 (7)	150

Ir1—C23	1.982 (7)
Ir1—C34	1.993 (7)
Ir1—N1	2.217 (5)
Ir1—N2	2.035 (6)
Ir1—N3	2.052 (6)
Ir1—O2	2.219 (4)

C23—Ir1—C34	90.5 (2)
C23—Ir1—N2	81.7 (3)
C34—Ir1—N3	80.7 (3)
N1—Ir1—O2	86.04 (19)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O2—H36⋯O1i	0.85	1.98	2.756 (7)	150
O2—H36⋯O1i	0.85	1.98	2.756 (7)	150

Symmetry code: (i) .