Dichlorido(3,5-dimethyl-1H-pyrazole-κN)[hydro-tris-(3,5-dimethyl-1H-pyrazol-1-yl-κN)borato]chromium(III) tetra-hydro-furan mono-solvate.

In the title compound, [Cr(C(15)H(22)BN(6))Cl(2)(C(5)H(8)N(2))]·C(4)H(8)O, the Cr(III) atom is coordinated by three N atoms from the hydro-tris-(3,5-dimethyl-pyrazol-1-yl)borate (Tp*) ligand, one 3,5-dimethyl-pyrazole (Dmpy) N atom and two Cl atoms in a distorted octa-hedral coordination geometry. Two N atoms occupy the axial sites, and the two Cl atoms and other two N atoms from Tp* lie in the equatorial plane. In the crystal, the complex mol-ecules and tetra-hydro-furan solvent mol-ecules are connected via inter-molecular N-H⋯O and C-H⋯O inter-actions.

Related literature

For examples of the use of Tp*, see: Lobbia et al. (1991 ▶); Mashima et al. (1997 ▶); Nihei et al. (2010 ▶). For details of Cr(III) bonding, see: Wright-Garcia et al. (2003) ▶.

Experimental

Crystal data

[Cr(C15H22BN6)Cl2(C5H8N2)]·C4H8O

M = 588.33

Monoclinic,

a = 10.9417 (13) Å

b = 11.1563 (13) Å

c = 24.036 (3) Å

β = 96.381 (2)°

V = 2915.9 (6) Å3

Z = 4

Mo Kα radiation

μ = 0.61 mm−1

T = 298 K

0.2 × 0.2 × 0.2 mm

Data collection

Bruker SMART CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2000 ▶) T min = 0.886, T max = 0.886

24008 measured reflections

5422 independent reflections

4930 reflections with I > 2σ(I)

R int = 0.108

Refinement

R[F 2 > 2σ(F 2)] = 0.088

wR(F 2) = 0.189

S = 1.33

5422 reflections

351 parameters

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.64 e Å−3

Δρmin = −0.36 e Å−3

Data collection: SMART (Bruker, 2000 ▶); cell refinement: SAINT (Bruker, 2000 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536811005344/br2160sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536811005344/br2160Isup2.hkl

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

[Cr(C15H22BN6)Cl2(C5H8N2)]·C4H8O	Z = 4
Mr = 588.33	F(000) = 1236
Monoclinic, P21/c	Dx = 1.340 Mg m−3
Hall symbol: -P 2ybc	Mo Kα radiation, λ = 0.71073 Å
a = 10.9417 (13) Å	θ = 1.0–25.5°
b = 11.1563 (13) Å	µ = 0.61 mm−1
c = 24.036 (3) Å	T = 298 K
β = 96.381 (2)°	Block, green
V = 2915.9 (6) Å3	0.2 × 0.2 × 0.2 mm

Bruker SMART CCD area-detector diffractometer	5422 independent reflections
Radiation source: fine-focus sealed tube	4930 reflections with I > 2σ(I)
graphite	Rint = 0.108
φ and ω scans	θmax = 25.5°, θmin = 1.7°
Absorption correction: multi-scan (SADABS; Bruker, 2000)	h = −11→13
Tmin = 0.886, Tmax = 0.886	k = −13→13
24008 measured reflections	l = −29→29

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.088	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.189	H atoms treated by a mixture of independent and constrained refinement
S = 1.33	w = 1/[σ2(Fo2) + (0.0478P)2 + 5.8124P] where P = (Fo2 + 2Fc2)/3
5422 reflections	(Δ/σ)max = 0.061
351 parameters	Δρmax = 0.64 e Å−3
0 restraints	Δρmin = −0.36 e Å−3

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
H20	−0.049 (4)	0.229 (4)	0.8535 (17)	0.000 (14)*
Cr1	0.21415 (6)	0.13372 (6)	0.86917 (3)	0.0257 (2)
Cl1	0.21345 (12)	0.33718 (10)	0.84889 (5)	0.0403 (3)
Cl2	0.12131 (12)	0.17258 (13)	0.94879 (5)	0.0443 (3)
O1	0.8845 (5)	0.3794 (4)	0.8944 (2)	0.0768 (14)
B1	0.4295 (5)	−0.0476 (5)	0.8590 (3)	0.0390 (13)
N1	0.3892 (4)	0.1397 (4)	0.91225 (17)	0.0366 (9)
N2	0.4684 (3)	0.0481 (4)	0.90276 (16)	0.0354 (9)
N3	0.2138 (3)	−0.0490 (3)	0.88608 (16)	0.0324 (9)
N4	0.3152 (4)	−0.1143 (3)	0.87563 (16)	0.0340 (9)
N5	0.2998 (3)	0.0980 (3)	0.79742 (15)	0.0292 (8)
N6	0.3927 (3)	0.0142 (3)	0.80210 (16)	0.0324 (9)
N7	0.0439 (3)	0.1082 (3)	0.82229 (15)	0.0281 (8)
N8	−0.0520 (4)	0.1813 (4)	0.83032 (19)	0.0327 (9)
C1	0.3947 (6)	0.3210 (6)	0.9731 (3)	0.0663 (18)
H1A	0.3673	0.3722	0.9421	0.099*
H1B	0.4560	0.3618	0.9978	0.099*
H1C	0.3263	0.3007	0.9930	0.099*
C2	0.4486 (5)	0.2090 (5)	0.9518 (2)	0.0435 (13)
C3	0.5638 (5)	0.1617 (6)	0.9677 (2)	0.0519 (15)
H3	0.6229	0.1929	0.9946	0.062*
C4	0.5747 (5)	0.0616 (6)	0.9367 (2)	0.0459 (14)
C5	0.6814 (5)	−0.0219 (7)	0.9356 (3)	0.070 (2)
H5A	0.6545	−0.1028	0.9404	0.105*
H5B	0.7439	−0.0017	0.9654	0.105*
H5C	0.7142	−0.0148	0.9004	0.105*
C6	0.0046 (5)	−0.0972 (6)	0.9141 (3)	0.0526 (15)
H6A	0.0070	−0.0197	0.9316	0.079*
H6B	−0.0225	−0.1558	0.9393	0.079*
H6C	−0.0513	−0.0953	0.8804	0.079*
C7	0.1302 (5)	−0.1293 (5)	0.9003 (2)	0.0397 (12)
C8	0.1793 (5)	−0.2434 (5)	0.8988 (2)	0.0451 (13)
H8	0.1409	−0.3145	0.9071	0.054*
C9	0.2944 (5)	−0.2318 (5)	0.8830 (2)	0.0410 (12)
C10	0.3865 (6)	−0.3265 (5)	0.8738 (3)	0.0609 (17)
H10A	0.4042	−0.3241	0.8356	0.091*
H10B	0.3538	−0.4037	0.8817	0.091*
H10C	0.4607	−0.3125	0.8982	0.091*
C11	0.1907 (5)	0.2217 (5)	0.7202 (2)	0.0413 (12)
H11A	0.1118	0.1834	0.7141	0.062*
H11B	0.2128	0.2520	0.6853	0.062*
H11C	0.1871	0.2867	0.7461	0.062*
C12	0.2851 (4)	0.1326 (4)	0.7437 (2)	0.0333 (10)
C13	0.3698 (5)	0.0739 (5)	0.7147 (2)	0.0396 (12)
H13	0.3799	0.0830	0.6770	0.047*
C14	0.4356 (4)	−0.0002 (4)	0.7523 (2)	0.0365 (11)
C15	0.5383 (5)	−0.0845 (6)	0.7431 (3)	0.0543 (15)
H15A	0.6119	−0.0601	0.7657	0.081*
H15B	0.5520	−0.0831	0.7043	0.081*
H15C	0.5167	−0.1643	0.7533	0.081*
C16	0.0693 (5)	−0.0696 (5)	0.7607 (2)	0.0422 (12)
H16A	0.1463	−0.0397	0.7508	0.063*
H16B	0.0232	−0.1038	0.7283	0.063*
H16C	0.0844	−0.1298	0.7892	0.063*
C17	−0.0019 (4)	0.0306 (4)	0.78224 (19)	0.0315 (10)
C18	−0.1248 (5)	0.0575 (5)	0.7659 (2)	0.0418 (12)
H18	−0.1770	0.0179	0.7388	0.050*
C19	−0.1540 (4)	0.1526 (4)	0.7972 (2)	0.0399 (12)
C20	−0.2733 (5)	0.2176 (6)	0.7987 (3)	0.0641 (18)
H20A	−0.3247	0.1736	0.8213	0.096*
H20B	−0.3139	0.2251	0.7614	0.096*
H20C	−0.2576	0.2960	0.8145	0.096*
C21	0.8285 (10)	0.3483 (8)	0.9424 (5)	0.117 (4)
H21A	0.8886	0.3138	0.9707	0.141*
H21B	0.7636	0.2901	0.9331	0.141*
C22	0.7779 (10)	0.4587 (9)	0.9632 (4)	0.114 (3)
H22A	0.7904	0.4616	1.0038	0.137*
H22B	0.6906	0.4648	0.9511	0.137*
C23	0.8465 (10)	0.5566 (7)	0.9387 (4)	0.102 (3)
H23A	0.8925	0.6037	0.9678	0.122*
H23B	0.7910	0.6091	0.9158	0.122*
C24	0.9310 (9)	0.4931 (7)	0.9039 (3)	0.088 (2)
H24A	0.9346	0.5348	0.8687	0.105*
H24B	1.0134	0.4894	0.9235	0.105*
H1	0.504 (5)	−0.109 (4)	0.857 (2)	0.037 (13)*

	U11	U22	U33	U12	U13	U23
Cr1	0.0216 (4)	0.0282 (4)	0.0277 (4)	0.0017 (3)	0.0047 (3)	0.0002 (3)
Cl1	0.0453 (7)	0.0290 (6)	0.0468 (7)	−0.0007 (5)	0.0061 (5)	0.0009 (5)
Cl2	0.0448 (7)	0.0573 (8)	0.0325 (6)	0.0046 (6)	0.0124 (5)	−0.0039 (6)
O1	0.080 (3)	0.053 (3)	0.103 (4)	−0.007 (2)	0.038 (3)	−0.026 (3)
B1	0.024 (3)	0.039 (3)	0.055 (4)	0.008 (2)	0.009 (2)	0.009 (3)
N1	0.028 (2)	0.042 (2)	0.039 (2)	0.0012 (18)	0.0032 (17)	−0.0029 (19)
N2	0.025 (2)	0.043 (2)	0.037 (2)	0.0004 (18)	0.0010 (16)	0.0071 (18)
N3	0.031 (2)	0.031 (2)	0.036 (2)	0.0056 (17)	0.0095 (17)	0.0056 (17)
N4	0.032 (2)	0.032 (2)	0.039 (2)	0.0058 (17)	0.0053 (17)	0.0065 (17)
N5	0.025 (2)	0.030 (2)	0.034 (2)	0.0016 (16)	0.0105 (16)	0.0019 (16)
N6	0.025 (2)	0.035 (2)	0.039 (2)	0.0022 (16)	0.0113 (16)	0.0010 (17)
N7	0.025 (2)	0.0279 (19)	0.0328 (19)	0.0055 (15)	0.0074 (15)	−0.0001 (16)
N8	0.033 (2)	0.026 (2)	0.040 (2)	0.0021 (17)	0.0058 (18)	−0.0068 (19)
C1	0.056 (4)	0.074 (4)	0.066 (4)	−0.007 (3)	−0.009 (3)	−0.029 (3)
C2	0.038 (3)	0.051 (3)	0.040 (3)	−0.009 (2)	−0.002 (2)	−0.002 (2)
C3	0.036 (3)	0.077 (4)	0.039 (3)	−0.012 (3)	−0.010 (2)	0.002 (3)
C4	0.028 (3)	0.067 (4)	0.042 (3)	−0.003 (3)	−0.001 (2)	0.013 (3)
C5	0.032 (3)	0.086 (5)	0.088 (5)	0.011 (3)	−0.012 (3)	0.017 (4)
C6	0.045 (3)	0.056 (4)	0.062 (4)	−0.008 (3)	0.027 (3)	0.006 (3)
C7	0.039 (3)	0.041 (3)	0.040 (3)	−0.004 (2)	0.009 (2)	0.007 (2)
C8	0.052 (3)	0.034 (3)	0.051 (3)	−0.008 (2)	0.011 (3)	0.014 (2)
C9	0.051 (3)	0.035 (3)	0.037 (3)	0.003 (2)	0.004 (2)	0.006 (2)
C10	0.074 (4)	0.037 (3)	0.073 (4)	0.017 (3)	0.010 (3)	0.005 (3)
C11	0.046 (3)	0.042 (3)	0.036 (3)	0.003 (2)	0.003 (2)	0.009 (2)
C12	0.030 (2)	0.033 (2)	0.038 (3)	−0.008 (2)	0.008 (2)	−0.001 (2)
C13	0.038 (3)	0.048 (3)	0.035 (3)	−0.004 (2)	0.017 (2)	0.002 (2)
C14	0.028 (2)	0.037 (3)	0.048 (3)	−0.005 (2)	0.016 (2)	−0.003 (2)
C15	0.041 (3)	0.058 (4)	0.068 (4)	0.008 (3)	0.024 (3)	−0.003 (3)
C16	0.038 (3)	0.039 (3)	0.051 (3)	−0.009 (2)	0.009 (2)	−0.015 (2)
C17	0.030 (2)	0.027 (2)	0.037 (2)	−0.0058 (19)	0.007 (2)	0.000 (2)
C18	0.035 (3)	0.041 (3)	0.047 (3)	−0.009 (2)	−0.005 (2)	−0.002 (2)
C19	0.028 (3)	0.037 (3)	0.053 (3)	0.001 (2)	0.000 (2)	0.003 (2)
C20	0.034 (3)	0.058 (4)	0.098 (5)	0.008 (3)	−0.001 (3)	−0.006 (4)
C21	0.121 (8)	0.070 (5)	0.180 (11)	0.000 (5)	0.100 (8)	0.005 (6)
C22	0.141 (9)	0.096 (7)	0.116 (7)	0.021 (6)	0.068 (7)	−0.018 (6)
C23	0.166 (9)	0.060 (5)	0.080 (5)	0.010 (6)	0.015 (6)	−0.018 (4)
C24	0.126 (7)	0.065 (5)	0.075 (5)	−0.014 (5)	0.026 (5)	−0.010 (4)

Cr1—N1	2.075 (4)	C7—C8	1.384 (7)
Cr1—N3	2.078 (4)	C8—C9	1.362 (7)
Cr1—N7	2.086 (4)	C8—H8	0.9300
Cr1—N5	2.090 (4)	C9—C10	1.493 (7)
Cr1—Cl2	2.3054 (14)	C10—H10A	0.9600
Cr1—Cl1	2.3214 (14)	C10—H10B	0.9600
O1—C24	1.376 (9)	C10—H10C	0.9600
O1—C21	1.410 (10)	C11—C12	1.498 (7)
B1—N2	1.527 (8)	C11—H11A	0.9600
B1—N6	1.544 (7)	C11—H11B	0.9600
B1—N4	1.545 (7)	C11—H11C	0.9600
B1—H1	1.07 (5)	C12—C13	1.385 (7)
N1—C2	1.336 (6)	C13—C14	1.370 (7)
N1—N2	1.375 (6)	C13—H13	0.9300
N2—C4	1.353 (6)	C14—C15	1.501 (7)
N3—C7	1.351 (6)	C15—H15A	0.9600
N3—N4	1.374 (5)	C15—H15B	0.9600
N4—C9	1.346 (6)	C15—H15C	0.9600
N5—C12	1.340 (6)	C16—C17	1.488 (7)
N5—N6	1.376 (5)	C16—H16A	0.9600
N6—C14	1.343 (6)	C16—H16B	0.9600
N7—C17	1.349 (6)	C16—H16C	0.9600
N7—N8	1.360 (5)	C17—C18	1.390 (7)
N8—C19	1.337 (6)	C18—C19	1.359 (7)
N8—H20	0.77 (4)	C18—H18	0.9300
C1—C2	1.496 (8)	C19—C20	1.497 (7)
C1—H1A	0.9600	C20—H20A	0.9600
C1—H1B	0.9600	C20—H20B	0.9600
C1—H1C	0.9600	C20—H20C	0.9600
C2—C3	1.381 (8)	C21—C22	1.462 (11)
C3—C4	1.355 (9)	C21—H21A	0.9700
C3—H3	0.9300	C21—H21B	0.9700
C4—C5	1.496 (8)	C22—C23	1.484 (13)
C5—H5A	0.9600	C22—H22A	0.9700
C5—H5B	0.9600	C22—H22B	0.9700
C5—H5C	0.9600	C23—C24	1.493 (11)
C6—C7	1.493 (7)	C23—H23A	0.9700
C6—H6A	0.9600	C23—H23B	0.9700
C6—H6B	0.9600	C24—H24A	0.9700
C6—H6C	0.9600	C24—H24B	0.9700
N1—Cr1—N3	87.45 (16)	C9—C8—H8	126.5
N1—Cr1—N7	173.26 (15)	C7—C8—H8	126.5
N3—Cr1—N7	87.18 (15)	N4—C9—C8	107.7 (5)
N1—Cr1—N5	86.80 (15)	N4—C9—C10	122.9 (5)
N3—Cr1—N5	89.14 (15)	C8—C9—C10	129.4 (5)
N7—Cr1—N5	89.05 (14)	C9—C10—H10A	109.5
N1—Cr1—Cl2	92.71 (12)	C9—C10—H10B	109.5
N3—Cr1—Cl2	90.66 (11)	H10A—C10—H10B	109.5
N7—Cr1—Cl2	91.42 (11)	C9—C10—H10C	109.5
N5—Cr1—Cl2	179.48 (11)	H10A—C10—H10C	109.5
N1—Cr1—Cl1	93.14 (12)	H10B—C10—H10C	109.5
N3—Cr1—Cl1	179.14 (12)	C12—C11—H11A	109.5
N7—Cr1—Cl1	92.19 (11)	C12—C11—H11B	109.5
N5—Cr1—Cl1	90.26 (11)	H11A—C11—H11B	109.5
Cl2—Cr1—Cl1	89.94 (5)	C12—C11—H11C	109.5
C24—O1—C21	106.1 (6)	H11A—C11—H11C	109.5
N2—B1—N6	108.9 (4)	H11B—C11—H11C	109.5
N2—B1—N4	109.2 (4)	N5—C12—C13	109.5 (4)
N6—B1—N4	107.8 (4)	N5—C12—C11	123.9 (4)
N2—B1—H1	109 (3)	C13—C12—C11	126.6 (4)
N6—B1—H1	112 (3)	C14—C13—C12	106.5 (4)
N4—B1—H1	110 (3)	C14—C13—H13	126.7
C2—N1—N2	106.4 (4)	C12—C13—H13	126.7
C2—N1—Cr1	136.2 (4)	N6—C14—C13	107.8 (4)
N2—N1—Cr1	117.2 (3)	N6—C14—C15	123.3 (5)
C4—N2—N1	109.4 (4)	C13—C14—C15	128.9 (5)
C4—N2—B1	130.5 (5)	C14—C15—H15A	109.5
N1—N2—B1	120.1 (4)	C14—C15—H15B	109.5
C7—N3—N4	106.1 (4)	H15A—C15—H15B	109.5
C7—N3—Cr1	135.7 (3)	C14—C15—H15C	109.5
N4—N3—Cr1	117.7 (3)	H15A—C15—H15C	109.5
C9—N4—N3	109.9 (4)	H15B—C15—H15C	109.5
C9—N4—B1	131.0 (4)	C17—C16—H16A	109.5
N3—N4—B1	119.0 (4)	C17—C16—H16B	109.5
C12—N5—N6	106.4 (4)	H16A—C16—H16B	109.5
C12—N5—Cr1	136.3 (3)	C17—C16—H16C	109.5
N6—N5—Cr1	117.2 (3)	H16A—C16—H16C	109.5
C14—N6—N5	109.7 (4)	H16B—C16—H16C	109.5
C14—N6—B1	130.7 (4)	N7—C17—C18	109.5 (4)
N5—N6—B1	119.6 (4)	N7—C17—C16	124.2 (4)
C17—N7—N8	104.7 (4)	C18—C17—C16	126.3 (4)
C17—N7—Cr1	135.4 (3)	C19—C18—C17	107.0 (4)
N8—N7—Cr1	119.9 (3)	C19—C18—H18	126.5
C19—N8—N7	112.2 (4)	C17—C18—H18	126.5
C19—N8—H20	124 (3)	N8—C19—C18	106.5 (4)
N7—N8—H20	123 (3)	N8—C19—C20	122.8 (5)
C2—C1—H1A	109.5	C18—C19—C20	130.7 (5)
C2—C1—H1B	109.5	C19—C20—H20A	109.5
H1A—C1—H1B	109.5	C19—C20—H20B	109.5
C2—C1—H1C	109.5	H20A—C20—H20B	109.5
H1A—C1—H1C	109.5	C19—C20—H20C	109.5
H1B—C1—H1C	109.5	H20A—C20—H20C	109.5
N1—C2—C3	109.4 (5)	H20B—C20—H20C	109.5
N1—C2—C1	123.2 (5)	O1—C21—C22	106.7 (7)
C3—C2—C1	127.4 (5)	O1—C21—H21A	110.4
C4—C3—C2	107.3 (5)	C22—C21—H21A	110.4
C4—C3—H3	126.4	O1—C21—H21B	110.4
C2—C3—H3	126.4	C22—C21—H21B	110.4
N2—C4—C3	107.5 (5)	H21A—C21—H21B	108.6
N2—C4—C5	122.7 (6)	C21—C22—C23	104.9 (7)
C3—C4—C5	129.8 (5)	C21—C22—H22A	110.8
C4—C5—H5A	109.5	C23—C22—H22A	110.8
C4—C5—H5B	109.5	C21—C22—H22B	110.8
H5A—C5—H5B	109.5	C23—C22—H22B	110.8
C4—C5—H5C	109.5	H22A—C22—H22B	108.8
H5A—C5—H5C	109.5	C22—C23—C24	104.2 (7)
H5B—C5—H5C	109.5	C22—C23—H23A	110.9
C7—C6—H6A	109.5	C24—C23—H23A	110.9
C7—C6—H6B	109.5	C22—C23—H23B	110.9
H6A—C6—H6B	109.5	C24—C23—H23B	110.9
C7—C6—H6C	109.5	H23A—C23—H23B	108.9
H6A—C6—H6C	109.5	O1—C24—C23	106.8 (7)
H6B—C6—H6C	109.5	O1—C24—H24A	110.4
N3—C7—C8	109.1 (5)	C23—C24—H24A	110.4
N3—C7—C6	124.3 (5)	O1—C24—H24B	110.4
C8—C7—C6	126.6 (5)	C23—C24—H24B	110.4
C9—C8—C7	107.1 (5)	H24A—C24—H24B	108.6

D—H···A	D—H	H···A	D···A	D—H···A
C20—H20C···O1i	0.96	2.51	3.265 (8)	135
N8—H20···O1i	0.77 (4)	2.11 (4)	2.820 (6)	153.8

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C20—H20C⋯O1i	0.96	2.51	3.265 (8)	135
N8—H20⋯O1i	0.77 (4)	2.11 (4)	2.820 (6)	153.8

Symmetry code: (i) .