(Formato-κO)bis-(1,10-phenanthroline-κN,N')copper(II) formate hexa-hydrate.

In the title compound, [Cu(CHO(2))(C(12)H(8)N(2))(2)]CHO(2)·6H(2)O, the Cu atom is coordinated in a distorted trigonal-bipyramidal fashion by an O atom of the formate ligand and four N atoms of two phenanthroline ligands with Cu-O and Cu-N distances of 2.020 (3) and 1.978 (3)-2.177 (3) Å, respectively. Hydrogen bonding O-H⋯O between water molecules and between water anions as well as π-π inter-actions [centroid-centroid distances between phen rings = 3.38 (7) and 3.40 (5) Å] are responsible for the supra-molecular assembly.

Related literature

For backgorund on the utilization of formic acid for the rational design and synthesis of coordination polymers and the potential applications of these compounds, see: Dybtsev et al. (2003 ▶); Manson et al. (2003 ▶); Wang et al. (2005 ▶, 2006 ▶).

Experimental

Crystal data

[Cu(CHO2)(C12H8N2)2]CHO2·6H2O

M = 622.09

Monoclinic,

a = 14.765 (3) Å

b = 12.764 (3) Å

c = 15.513 (3) Å

β = 109.76 (3)°

V = 2751.4 (11) Å3

Z = 4

Mo Kα radiation

μ = 0.86 mm−1

T = 295 (2) K

0.43 × 0.29 × 0.22 mm

Data collection

Bruker P4 diffractometer

Absorption correction: ψ scan (XSCANS; Siemens, 1996 ▶) T min = 0.740, T max = 0.819

5942 measured reflections

4812 independent reflections

3341 reflections with I > 2σ(I)

R int = 0.068

3 standard reflections every 97 reflections intensity decay: none

Refinement

R[F 2 > 2σ(F 2)] = 0.053

wR(F 2) = 0.163

S = 1.11

4812 reflections

372 parameters

H-atom parameters constrained

Δρmax = 0.67 e Å−3

Δρmin = −0.76 e Å−3

Data collection: XSCANS (Siemens, 1996 ▶); cell refinement: XSCANS; data reduction: XSCANS; 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: SHELXL97.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808035320/pk2125sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808035320/pk2125Isup2.hkl

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

[Cu(CHO2)(C12H8N2)2]CHO2·6H2O	F000 = 1292
Mr = 622.09	Dx = 1.502 Mg m−3
Monoclinic, P21/n	Mo Kα radiation λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 25 reflections
a = 14.765 (3) Å	θ = 5.0–12.5º
b = 12.764 (3) Å	µ = 0.86 mm−1
c = 15.513 (3) Å	T = 295 (2) K
β = 109.76 (3)º	Block, blue
V = 2751.4 (11) Å3	0.43 × 0.29 × 0.22 mm
Z = 4

Bruker P4 diffractometer	Rint = 0.068
Radiation source: fine-focus sealed tube	θmax = 25.0º
Monochromator: graphite	θmin = 1.7º
T = 295(2) K	h = −1→17
θ/2θ scans	k = −1→15
Absorption correction: ψ scan(XSCANS; Siemens, 1996)	l = −18→17
Tmin = 0.740, Tmax = 0.819	3 standard reflections
5942 measured reflections	every 97 reflections
4812 independent reflections	intensity decay: none
3341 reflections with I > 2σ(I)

Refinement on F2	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.053	w = 1/[σ2(Fo2) + (0.0836P)2 + 2.1346P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.163	(Δ/σ)max < 0.001
S = 1.11	Δρmax = 0.67 e Å−3
4812 reflections	Δρmin = −0.76 e Å−3
372 parameters	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0091 (10)
Secondary atom site location: difference Fourier map

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
Cu	0.64373 (3)	0.25126 (4)	0.01020 (3)	0.0379 (2)
N1	0.7686 (2)	0.3308 (2)	0.0792 (2)	0.0375 (7)
N2	0.6376 (2)	0.2407 (2)	0.1353 (2)	0.0396 (7)
C1	0.8348 (3)	0.3739 (3)	0.0496 (3)	0.0478 (10)
H1A	0.8252	0.3736	−0.0129	0.057*
C2	0.9184 (3)	0.4195 (3)	0.1096 (3)	0.0563 (11)
H2A	0.9643	0.4471	0.0871	0.068*
C3	0.9326 (3)	0.4234 (3)	0.2005 (3)	0.0558 (11)
H3A	0.9881	0.4540	0.2405	0.067*
C4	0.8635 (3)	0.3813 (3)	0.2342 (3)	0.0436 (9)
C5	0.8705 (4)	0.3821 (4)	0.3286 (3)	0.0580 (12)
H5C	0.9246	0.4112	0.3719	0.070*
C6	0.8005 (3)	0.3416 (4)	0.3557 (3)	0.0558 (11)
H6C	0.8056	0.3460	0.4171	0.067*
C7	0.7191 (3)	0.2924 (3)	0.2925 (2)	0.0447 (9)
C8	0.6439 (4)	0.2461 (4)	0.3157 (3)	0.0568 (12)
H8C	0.6446	0.2481	0.3758	0.068*
C9	0.5702 (4)	0.1984 (4)	0.2498 (3)	0.0592 (12)
H9C	0.5209	0.1667	0.2650	0.071*
C10	0.5685 (3)	0.1968 (4)	0.1599 (3)	0.0531 (10)
H10C	0.5174	0.1642	0.1155	0.064*
C11	0.7114 (3)	0.2880 (3)	0.2003 (2)	0.0359 (8)
C12	0.7831 (3)	0.3341 (3)	0.1702 (2)	0.0357 (8)
N3	0.5138 (2)	0.3447 (2)	−0.0467 (2)	0.0414 (7)
N4	0.6447 (2)	0.2693 (2)	−0.1166 (2)	0.0393 (7)
C13	0.4500 (3)	0.3792 (3)	−0.0117 (3)	0.0532 (10)
H13A	0.4635	0.3737	0.0512	0.064*
C14	0.3627 (3)	0.4240 (4)	−0.0651 (4)	0.0647 (13)
H14A	0.3186	0.4462	−0.0381	0.078*
C15	0.3430 (4)	0.4348 (3)	−0.1563 (4)	0.0661 (13)
H15A	0.2851	0.4648	−0.1922	0.079*
C16	0.4094 (3)	0.4007 (3)	−0.1966 (3)	0.0526 (11)
C17	0.3954 (4)	0.4059 (4)	−0.2923 (3)	0.0679 (15)
H17A	0.3393	0.4362	−0.3316	0.081*
C18	0.4601 (4)	0.3687 (4)	−0.3271 (3)	0.0656 (14)
H18A	0.4480	0.3730	−0.3898	0.079*
C19	0.5478 (3)	0.3223 (3)	−0.2694 (3)	0.0514 (11)
C20	0.6173 (4)	0.2797 (4)	−0.3019 (3)	0.0608 (13)
H20A	0.6090	0.2827	−0.3640	0.073*
C21	0.6962 (4)	0.2345 (3)	−0.2430 (3)	0.0596 (13)
H21A	0.7426	0.2059	−0.2643	0.072*
C22	0.7083 (4)	0.2306 (3)	−0.1504 (3)	0.0520 (11)
H22A	0.7635	0.1994	−0.1106	0.062*
C23	0.5649 (3)	0.3155 (3)	−0.1749 (2)	0.0392 (9)
C24	0.4947 (3)	0.3552 (3)	−0.1378 (2)	0.0384 (8)
C25	0.6441 (4)	0.0437 (3)	−0.0195 (3)	0.0552 (11)
H25	0.6237	−0.0242	−0.0378	0.066*
O1	0.5806 (2)	0.1097 (2)	−0.02386 (19)	0.0543 (7)
O2	0.7306 (2)	0.0600 (3)	0.0067 (2)	0.0683 (9)
C26	0.1997 (4)	0.5352 (4)	0.2316 (3)	0.0618 (12)
H26	0.2453	0.5124	0.2859	0.074*
O3	0.1314 (3)	0.5838 (3)	0.2400 (3)	0.0798 (10)
O4	0.2164 (3)	0.5125 (3)	0.1609 (2)	0.0796 (11)
O5	0.1030 (3)	0.9175 (3)	0.3028 (3)	0.0833 (11)
O6	0.0247 (3)	0.6818 (3)	0.0693 (2)	0.0770 (10)
O7	0.1697 (3)	0.3535 (3)	0.0289 (2)	0.0729 (10)
O8	0.1647 (3)	0.7213 (3)	0.3948 (2)	0.0719 (9)
O9	0.1259 (3)	1.0518 (3)	0.0279 (2)	0.0885 (12)
O10	0.0479 (3)	0.8961 (3)	0.1125 (3)	0.0831 (11)
H5A	0.1169	0.8562	0.3155	0.100*
H5B	0.1448	0.9521	0.3137	0.100*
H6A	0.0482	0.6457	0.1074	0.100*
H6B	0.0514	0.7399	0.0896	0.100*
H7A	0.1700	0.4114	0.0616	0.100*
H7B	0.1178	0.3552	0.0052	0.100*
H8A	0.1746	0.6809	0.3576	0.100*
H8B	0.2154	0.7354	0.4264	0.100*
H9A	0.1669	1.0365	0.0126	0.100*
H9B	0.0905	1.0691	−0.0241	0.100*
H10A	0.0478	0.9198	0.1640	0.100*
H10B	0.0707	0.9418	0.0885	0.100*

	U11	U22	U33	U12	U13	U23
Cu	0.0408 (3)	0.0447 (3)	0.0282 (3)	−0.0022 (2)	0.0116 (2)	0.00049 (18)
N1	0.0403 (17)	0.0364 (16)	0.0372 (16)	0.0011 (14)	0.0149 (13)	0.0014 (13)
N2	0.0380 (17)	0.0473 (18)	0.0350 (16)	−0.0030 (14)	0.0141 (13)	0.0018 (13)
C1	0.054 (2)	0.045 (2)	0.049 (2)	−0.0029 (19)	0.0223 (19)	0.0063 (18)
C2	0.048 (2)	0.050 (2)	0.076 (3)	−0.005 (2)	0.028 (2)	0.004 (2)
C3	0.043 (2)	0.047 (2)	0.072 (3)	−0.0049 (19)	0.010 (2)	−0.008 (2)
C4	0.041 (2)	0.036 (2)	0.048 (2)	0.0021 (17)	0.0074 (18)	−0.0051 (17)
C5	0.065 (3)	0.054 (3)	0.040 (2)	0.007 (2)	−0.003 (2)	−0.0094 (19)
C6	0.070 (3)	0.060 (3)	0.032 (2)	0.006 (2)	0.011 (2)	−0.0045 (19)
C7	0.057 (2)	0.046 (2)	0.0314 (19)	0.0104 (19)	0.0154 (18)	0.0028 (17)
C8	0.071 (3)	0.069 (3)	0.040 (2)	0.007 (2)	0.032 (2)	0.009 (2)
C9	0.067 (3)	0.069 (3)	0.052 (3)	−0.008 (2)	0.034 (2)	0.010 (2)
C10	0.050 (2)	0.064 (3)	0.048 (2)	−0.010 (2)	0.021 (2)	0.001 (2)
C11	0.039 (2)	0.0367 (18)	0.0308 (18)	0.0066 (16)	0.0103 (16)	0.0029 (15)
C12	0.039 (2)	0.0308 (17)	0.0362 (18)	0.0061 (16)	0.0116 (16)	0.0012 (15)
N3	0.0456 (18)	0.0380 (17)	0.0403 (17)	0.0032 (14)	0.0142 (15)	0.0006 (13)
N4	0.0449 (18)	0.0409 (17)	0.0354 (16)	−0.0010 (14)	0.0181 (14)	0.0006 (13)
C13	0.058 (3)	0.047 (2)	0.060 (3)	0.002 (2)	0.027 (2)	−0.005 (2)
C14	0.054 (3)	0.051 (3)	0.095 (4)	0.007 (2)	0.033 (3)	−0.010 (3)
C15	0.055 (3)	0.041 (2)	0.091 (4)	0.006 (2)	0.009 (3)	0.007 (2)
C16	0.051 (2)	0.033 (2)	0.061 (3)	−0.0014 (18)	0.003 (2)	0.0078 (19)
C17	0.080 (4)	0.045 (3)	0.051 (3)	−0.003 (2)	−0.012 (3)	0.018 (2)
C18	0.091 (4)	0.056 (3)	0.035 (2)	−0.015 (3)	0.002 (2)	0.009 (2)
C19	0.079 (3)	0.041 (2)	0.0320 (19)	−0.018 (2)	0.015 (2)	−0.0006 (17)
C20	0.103 (4)	0.051 (2)	0.036 (2)	−0.023 (3)	0.033 (3)	−0.0063 (19)
C21	0.094 (4)	0.047 (2)	0.059 (3)	−0.007 (2)	0.053 (3)	−0.009 (2)
C22	0.068 (3)	0.047 (2)	0.052 (2)	−0.001 (2)	0.036 (2)	−0.0015 (19)
C23	0.052 (2)	0.0323 (19)	0.0311 (18)	−0.0075 (17)	0.0105 (17)	−0.0003 (15)
C24	0.041 (2)	0.0306 (18)	0.0382 (19)	−0.0027 (15)	0.0070 (16)	0.0032 (15)
C25	0.075 (3)	0.037 (2)	0.042 (2)	−0.004 (2)	0.006 (2)	0.0013 (18)
O1	0.0549 (17)	0.0500 (17)	0.0495 (16)	−0.0009 (15)	0.0064 (13)	0.0002 (13)
O2	0.061 (2)	0.076 (2)	0.0609 (19)	0.0112 (18)	0.0103 (16)	0.0038 (17)
C26	0.074 (3)	0.047 (2)	0.058 (3)	−0.002 (2)	0.015 (2)	−0.002 (2)
O3	0.065 (2)	0.074 (2)	0.103 (3)	0.0053 (19)	0.031 (2)	−0.007 (2)
O4	0.116 (3)	0.060 (2)	0.061 (2)	0.001 (2)	0.027 (2)	−0.0082 (16)
O5	0.089 (3)	0.075 (2)	0.090 (3)	0.017 (2)	0.036 (2)	0.018 (2)
O6	0.078 (2)	0.086 (3)	0.064 (2)	0.004 (2)	0.0206 (18)	−0.0112 (19)
O7	0.080 (2)	0.076 (2)	0.0580 (19)	0.0064 (19)	0.0182 (17)	−0.0100 (17)
O8	0.075 (2)	0.075 (2)	0.072 (2)	−0.0008 (18)	0.0341 (19)	0.0044 (18)
O9	0.085 (3)	0.108 (3)	0.067 (2)	0.016 (2)	0.0197 (19)	−0.012 (2)
O10	0.094 (3)	0.075 (2)	0.076 (2)	0.009 (2)	0.023 (2)	0.0016 (19)

Cu—N2	1.978 (3)	C14—H14A	0.9300
Cu—N4	1.986 (3)	C15—C16	1.400 (7)
Cu—O1	2.020 (3)	C15—H15A	0.9300
Cu—N1	2.059 (3)	C16—C24	1.407 (5)
Cu—N3	2.177 (3)	C16—C17	1.430 (7)
N1—C1	1.332 (5)	C17—C18	1.333 (7)
N1—C12	1.356 (5)	C17—H17A	0.9300
N2—C10	1.327 (5)	C18—C19	1.430 (7)
N2—C11	1.352 (5)	C18—H18A	0.9300
C1—C2	1.397 (6)	C19—C20	1.398 (7)
C1—H1A	0.9300	C19—C23	1.403 (5)
C2—C3	1.355 (6)	C20—C21	1.343 (7)
C2—H2A	0.9300	C20—H20A	0.9300
C3—C4	1.402 (6)	C21—C22	1.388 (6)
C3—H3A	0.9300	C21—H21A	0.9300
C4—C12	1.399 (5)	C22—H22A	0.9300
C4—C5	1.432 (6)	C23—C24	1.437 (5)
C5—C6	1.345 (6)	C25—O2	1.220 (5)
C5—H5C	0.9300	C25—O1	1.245 (5)
C6—C7	1.415 (6)	C25—H25	0.9300
C6—H6C	0.9300	C26—O3	1.228 (6)
C7—C11	1.396 (5)	C26—O4	1.237 (6)
C7—C8	1.409 (6)	C26—H26	0.9300
C8—C9	1.360 (7)	O5—H5A	0.8162
C8—H8C	0.9300	O5—H5B	0.7309
C9—C10	1.386 (6)	O6—H6A	0.7368
C9—H9C	0.9300	O6—H6B	0.8486
C10—H10C	0.9300	O7—H7A	0.8961
C11—C12	1.421 (5)	O7—H7B	0.7303
N3—C13	1.311 (5)	O8—H8A	0.8225
N3—C24	1.352 (5)	O8—H8B	0.7656
N4—C22	1.316 (5)	O9—H9A	0.7471
N4—C23	1.353 (5)	O9—H9B	0.8279
C13—C14	1.397 (6)	O10—H10A	0.8544
C13—H13A	0.9300	O10—H10B	0.8217
C14—C15	1.351 (7)
N2—Cu—N4	176.56 (12)	C24—N3—Cu	108.7 (2)
N2—Cu—O1	91.46 (12)	C22—N4—C23	118.4 (3)
N4—Cu—O1	90.09 (12)	C22—N4—Cu	126.6 (3)
N2—Cu—N1	81.60 (12)	C23—N4—Cu	114.6 (2)
N4—Cu—N1	98.78 (12)	N3—C13—C14	122.7 (4)
O1—Cu—N1	146.07 (12)	N3—C13—H13A	118.7
N2—Cu—N3	96.24 (12)	C14—C13—H13A	118.7
N4—Cu—N3	80.52 (12)	C15—C14—C13	119.4 (4)
O1—Cu—N3	96.83 (12)	C15—C14—H14A	120.3
N1—Cu—N3	116.87 (12)	C13—C14—H14A	120.3
C1—N1—C12	118.0 (3)	C14—C15—C16	120.1 (4)
C1—N1—Cu	131.1 (3)	C14—C15—H15A	120.0
C12—N1—Cu	110.8 (2)	C16—C15—H15A	120.0
C10—N2—C11	118.6 (3)	C15—C16—C24	116.6 (4)
C10—N2—Cu	127.2 (3)	C15—C16—C17	125.0 (4)
C11—N2—Cu	114.1 (2)	C24—C16—C17	118.4 (4)
N1—C1—C2	121.9 (4)	C18—C17—C16	122.1 (4)
N1—C1—H1A	119.0	C18—C17—H17A	118.9
C2—C1—H1A	119.0	C16—C17—H17A	118.9
C3—C2—C1	120.0 (4)	C17—C18—C19	121.0 (4)
C3—C2—H2A	120.0	C17—C18—H18A	119.5
C1—C2—H2A	120.0	C19—C18—H18A	119.5
C2—C3—C4	119.8 (4)	C20—C19—C23	117.3 (4)
C2—C3—H3A	120.1	C20—C19—C18	123.7 (4)
C4—C3—H3A	120.1	C23—C19—C18	119.0 (4)
C12—C4—C3	116.8 (4)	C21—C20—C19	119.7 (4)
C12—C4—C5	118.7 (4)	C21—C20—H20A	120.2
C3—C4—C5	124.6 (4)	C19—C20—H20A	120.2
C6—C5—C4	121.3 (4)	C20—C21—C22	119.9 (4)
C6—C5—H5C	119.3	C20—C21—H21A	120.1
C4—C5—H5C	119.3	C22—C21—H21A	120.1
C5—C6—C7	121.0 (4)	N4—C22—C21	122.6 (5)
C5—C6—H6C	119.5	N4—C22—H22A	118.7
C7—C6—H6C	119.5	C21—C22—H22A	118.7
C11—C7—C8	116.5 (4)	N4—C23—C19	122.2 (4)
C11—C7—C6	119.0 (4)	N4—C23—C24	118.0 (3)
C8—C7—C6	124.6 (4)	C19—C23—C24	119.8 (4)
C9—C8—C7	119.8 (4)	N3—C24—C16	122.9 (4)
C9—C8—H8C	120.1	N3—C24—C23	117.4 (3)
C7—C8—H8C	120.1	C16—C24—C23	119.7 (4)
C8—C9—C10	120.0 (4)	O2—C25—O1	125.9 (4)
C8—C9—H9C	120.0	O2—C25—H25	117.0
C10—C9—H9C	120.0	O1—C25—H25	117.0
N2—C10—C9	121.9 (4)	C25—O1—Cu	108.6 (3)
N2—C10—H10C	119.1	O3—C26—O4	129.0 (5)
C9—C10—H10C	119.1	O3—C26—H26	115.5
N2—C11—C7	123.3 (4)	O4—C26—H26	115.5
N2—C11—C12	116.2 (3)	H5A—O5—H5B	113.5
C7—C11—C12	120.5 (4)	H6A—O6—H6B	102.5
N1—C12—C4	123.4 (3)	H7A—O7—H7B	93.7
N1—C12—C11	117.2 (3)	H8A—O8—H8B	103.3
C4—C12—C11	119.5 (3)	H9A—O9—H9B	94.2
C13—N3—C24	118.3 (3)	H10A—O10—H10B	107.7
C13—N3—Cu	132.4 (3)

D—H···A	D—H	H···A	D···A	D—H···A
O5—H5A···O8	0.82	2.10	2.874 (5)	160
O5—H5B···O4i	0.73	2.10	2.808 (6)	164
O6—H6A···O3	0.74	2.16	2.870 (5)	163
O6—H6B···O10	0.85	2.03	2.810 (5)	153
O7—H7A···O4	0.90	1.95	2.799 (5)	158
O7—H7B···O6ii	0.73	2.08	2.794 (6)	165
O8—H8A···O3	0.82	2.12	2.879 (5)	154
O8—H8B···O7i	0.76	2.20	2.876 (6)	148
O9—H9A···O2iii	0.75	2.05	2.754 (5)	157
O9—H9B···O10iv	0.83	2.09	2.827 (6)	148
O10—H10A···O5	0.85	2.03	2.798 (6)	149
O10—H10B···O9	0.82	2.01	2.832 (6)	179

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O5—H5A⋯O8	0.82	2.10	2.874 (5)	160
O5—H5B⋯O4i	0.73	2.10	2.808 (6)	164
O6—H6A⋯O3	0.74	2.16	2.870 (5)	163
O6—H6B⋯O10	0.85	2.03	2.810 (5)	153
O7—H7A⋯O4	0.90	1.95	2.799 (5)	158
O7—H7B⋯O6ii	0.73	2.08	2.794 (6)	165
O8—H8A⋯O3	0.82	2.12	2.879 (5)	154
O8—H8B⋯O7i	0.76	2.20	2.876 (6)	148
O9—H9A⋯O2iii	0.75	2.05	2.754 (5)	157
O9—H9B⋯O10iv	0.83	2.09	2.827 (6)	148
O10—H10A⋯O5	0.85	2.03	2.798 (6)	149
O10—H10B⋯O9	0.82	2.01	2.832 (6)	179

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) .