catena-Poly[[diaquaterbium(III)]-tetrakis(μ(2)-pyridine-4-carboxylato-κO:O')-[diaquaterbium(III)]-bis(μ(2)-pyridine-4-carboxylato-κO:O')].

The title complex, [Tb(2)(C(6)H(4)NO(2))(6)(H(2)O)(4)](n), was isolated under hydro-thermal conditions using the ligand pyridine-4-carb-oxy-lic acid (HL) and Tb(2)O(3). The deprotonated L(2-) ligands adopt bridging coordination modes. The central Tb(III) atom is bridged by L(2-) ligands, forming a polymeric chain parallel to the a axis. Supra-molecular O-H⋯N inter-actions link the chains, building up a layer parallel to (010). O-H⋯O hydrogen bonds also occur. Two of the pyridine rings are disordered by rotation around the central C-N direction with occupancy ratios of 0.53 (1):0.47 (1).

Related literature

For the properties of metal-organic coordination polymers, see: Bradshaw et al. (2004 ▶); Singh & Roesky (2007 ▶); Rosi et al. (2002 ▶); Thirumurugan & Natarajan (2005 ▶); Thirumurugan et al. (2008 ▶); Forster & Cheetham (2002 ▶); Fan & Zhu (2007 ▶).

Experimental

Crystal data

[Tb2(C6H4NO2)6(H2O)4]

M = 1122.52

Monoclinic,

a = 9.7008 (10) Å

b = 19.813 (2) Å

c = 11.6253 (12) Å

β = 112.009 (1)°

V = 2071.6 (4) Å3

Z = 2

Mo Kα radiation

μ = 3.46 mm−1

T = 293 K

0.26 × 0.20 × 0.18 mm

Data collection

Bruker SMART CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 2008a ▶) T min = 0.466, T max = 0.575

11208 measured reflections

4055 independent reflections

2998 reflections with I > 2σ(I)

R int = 0.026

Refinement

R[F 2 > 2σ(F 2)] = 0.035

wR(F 2) = 0.105

S = 1.11

4055 reflections

259 parameters

148 restraints

H-atom parameters constrained

Δρmax = 0.78 e Å−3

Δρmin = −1.60 e Å−3

Data collection: SMART (Bruker, 1997 ▶); cell refinement: SAINT (Bruker, 1997 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008b ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008b ▶); molecular graphics: PLATON (Spek, 2009 ▶); software used to prepare material for publication: publCIF (Westrip, 2010 ▶).

Crystal structure: contains datablock(s) I. DOI: 10.1107/S1600536811038487/dn2711sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811038487/dn2711Isup2.hkl

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

[Tb2(C6H4NO2)6(H2O)4]	F(000) = 1096
Mr = 1122.52	Dx = 1.800 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 5467 reflections
a = 9.7008 (10) Å	θ = 2.2–26.4°
b = 19.813 (2) Å	µ = 3.46 mm−1
c = 11.6253 (12) Å	T = 293 K
β = 112.009 (1)°	Block, colourless
V = 2071.6 (4) Å3	0.26 × 0.20 × 0.18 mm
Z = 2

Bruker SMART CCD area-detector diffractometer	4055 independent reflections
Radiation source: fine-focus sealed tube	2998 reflections with I > 2σ(I)
graphite	Rint = 0.026
φ and ω scans	θmax = 26.0°, θmin = 2.3°
Absorption correction: multi-scan (SADABS; Sheldrick, 2008)	h = −11→11
Tmin = 0.466, Tmax = 0.575	k = −10→24
11208 measured reflections	l = −14→14

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)] = 0.035	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.105	H-atom parameters constrained
S = 1.11	w = 1/[σ2(Fo2) + (0.0526P)2 + 5.420P] where P = (Fo2 + 2Fc2)/3
4055 reflections	(Δ/σ)max = 0.012
259 parameters	Δρmax = 0.78 e Å−3
148 restraints	Δρmin = −1.60 e Å−3

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > 2sigma(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. The ISOR instruction are used for C16 C16' C17' C5 C5' C15 C15' C18' atoms to insolve their ADP alerts. The instructions of DFIX and DANG are used for H atoms on O7 and O8 water molecules, in order to place H atoms of water molecules in calculated positions as rigiding atoms. The SIMU and DELU instructions against C16 N3 C13 O6 C1 O2 atoms are used for insolveing their ADP alerts. In addition, the disordered C3 C4 C5 C6 and C3' C4' C5' C6' atoms are localized by the differece Fourier map, which are treated as disordered part with 0.5 occupancy. Whereas, the C15 C16 C17 C18 and C15' C16' C17' C18' atoms are treated as disordered part with free refinement.

	x	y	z	Uiso*/Ueq	Occ. (<1)
Tb1	0.28030 (2)	0.499202 (11)	0.50935 (2)	0.01827 (11)
O1	0.3953 (4)	0.61276 (17)	0.5299 (3)	0.0248 (8)
O2	0.5886 (4)	0.60949 (17)	0.4690 (3)	0.0270 (8)
O3	0.3869 (4)	0.49073 (17)	0.3515 (3)	0.0253 (8)
O4	0.5557 (4)	0.49956 (19)	0.2667 (4)	0.0324 (10)
O5	0.0756 (4)	0.43450 (17)	0.3615 (3)	0.0235 (8)
O6	−0.1256 (4)	0.43637 (18)	0.4071 (3)	0.0274 (8)
O7	0.1132 (4)	0.57515 (17)	0.3392 (3)	0.0262 (8)
H71	0.1377	0.6148	0.3290	0.039*
H72	0.0602	0.5633	0.2667	0.039*
O8	0.1792 (4)	0.41684 (18)	0.6284 (3)	0.0267 (8)
H81	0.2344	0.3999	0.6975	0.040*
H82	0.0949	0.4233	0.6325	0.040*
N2	0.1002 (5)	0.4546 (3)	−0.1043 (4)	0.0355 (12)
C1	0.5085 (5)	0.6369 (2)	0.5182 (4)	0.0191 (10)
C2	0.5552 (6)	0.7071 (3)	0.5691 (5)	0.0263 (11)
C3	0.5412 (18)	0.7272 (6)	0.6767 (14)	0.065 (2)	0.53
H3	0.4991	0.6988	0.7183	0.078*	0.53
C4	0.5922 (18)	0.7922 (6)	0.7231 (14)	0.065 (2)	0.53
H4	0.5850	0.8049	0.7976	0.078*	0.53
N1	0.6468 (7)	0.8341 (3)	0.6704 (7)	0.0652 (19)
C5	0.6418 (18)	0.8184 (6)	0.5577 (13)	0.065 (2)	0.53
H5	0.6608	0.8519	0.5093	0.078*	0.53
C6	0.6088 (18)	0.7530 (6)	0.5098 (14)	0.065 (2)	0.53
H6	0.6236	0.7410	0.4379	0.078*	0.53
C3'	0.4669 (18)	0.7485 (7)	0.6043 (18)	0.065 (2)	0.47
H3'	0.3716	0.7349	0.5949	0.078*	0.47
C4'	0.5197 (17)	0.8116 (7)	0.6545 (18)	0.065 (2)	0.47
H4'	0.4566	0.8389	0.6778	0.078*	0.47
C5'	0.7305 (18)	0.7961 (7)	0.6254 (18)	0.065 (2)	0.47
H5'	0.8200	0.8139	0.6273	0.078*	0.47
C6'	0.6903 (17)	0.7308 (7)	0.5758 (18)	0.065 (2)	0.47
H6'	0.7527	0.7052	0.5490	0.078*	0.47
C7	0.4248 (6)	0.4912 (2)	0.2593 (5)	0.0205 (11)
C8	0.3085 (5)	0.4796 (3)	0.1332 (4)	0.0201 (10)
C9	0.3287 (7)	0.5057 (3)	0.0274 (5)	0.0286 (12)
H9A	0.4113	0.5317	0.0344	0.034*
C10	0.2195 (7)	0.4908 (3)	−0.0881 (5)	0.0353 (15)
H10A	0.2319	0.5076	−0.1583	0.042*
C11	0.0841 (6)	0.4311 (3)	−0.0041 (5)	0.0392 (15)
H11A	0.0013	0.4045	−0.0146	0.047*
C12	0.1823 (6)	0.4436 (3)	0.1157 (5)	0.0304 (12)
H12A	0.1626	0.4276	0.1832	0.037*
C13	−0.0423 (5)	0.4099 (2)	0.3623 (4)	0.0148 (9)
C14	−0.0838 (6)	0.3403 (3)	0.3060 (5)	0.0251 (11)
C15	−0.061 (2)	0.3205 (7)	0.2026 (15)	0.067 (2)	0.47
H15	−0.0141	0.3488	0.1647	0.080*	0.47
C16	−0.110 (2)	0.2552 (6)	0.1541 (16)	0.067 (2)	0.47
H16	−0.1138	0.2452	0.0748	0.080*	0.47
N3	−0.1491 (7)	0.2101 (3)	0.2112 (6)	0.0647 (19)
C17	−0.186 (2)	0.2304 (7)	0.3059 (16)	0.067 (2)	0.47
H17	−0.2300	0.1996	0.3416	0.080*	0.47
C18	−0.1591 (19)	0.2972 (7)	0.3543 (17)	0.067 (2)	0.47
H18	−0.1916	0.3112	0.4162	0.080*	0.47
C15'	0.0235 (16)	0.3043 (6)	0.2749 (17)	0.067 (2)	0.53
H15'	0.1159	0.3229	0.2870	0.080*	0.53
C16'	−0.0161 (15)	0.2386 (6)	0.2247 (17)	0.067 (2)	0.53
H16'	0.0504	0.2144	0.2003	0.080*	0.53
C17'	−0.2435 (15)	0.2459 (6)	0.2278 (17)	0.067 (2)	0.53
H17'	−0.3388	0.2285	0.2064	0.080*	0.53
C18'	−0.2165 (14)	0.3119 (6)	0.2774 (17)	0.067 (2)	0.53
H18'	−0.2923	0.3356	0.2901	0.080*	0.53

	U11	U22	U33	U12	U13	U23
Tb1	0.01824 (16)	0.01848 (16)	0.01805 (16)	−0.00263 (9)	0.00676 (11)	−0.00260 (9)
O1	0.0188 (17)	0.0176 (17)	0.040 (2)	−0.0057 (14)	0.0135 (16)	−0.0055 (15)
O2	0.029 (2)	0.0208 (18)	0.037 (2)	0.0011 (16)	0.0197 (17)	−0.0011 (16)
O3	0.034 (2)	0.031 (2)	0.0143 (17)	−0.0008 (15)	0.0121 (16)	−0.0015 (14)
O4	0.0171 (19)	0.060 (3)	0.0183 (19)	−0.0084 (17)	0.0044 (16)	−0.0052 (17)
O5	0.0218 (18)	0.0230 (18)	0.0260 (19)	−0.0100 (15)	0.0092 (15)	−0.0068 (15)
O6	0.0246 (18)	0.0276 (19)	0.035 (2)	0.0016 (16)	0.0164 (17)	−0.0087 (17)
O7	0.0292 (19)	0.0203 (18)	0.0194 (17)	−0.0051 (15)	−0.0019 (15)	0.0041 (14)
O8	0.0188 (17)	0.035 (2)	0.029 (2)	0.0054 (15)	0.0126 (15)	0.0136 (16)
N2	0.029 (3)	0.053 (3)	0.017 (2)	0.008 (2)	−0.001 (2)	−0.008 (2)
C1	0.019 (2)	0.013 (2)	0.023 (3)	−0.0017 (19)	0.004 (2)	0.0002 (18)
C2	0.021 (2)	0.023 (2)	0.032 (3)	−0.008 (2)	0.006 (2)	−0.007 (2)
C3	0.074 (5)	0.041 (3)	0.094 (5)	−0.032 (3)	0.050 (4)	−0.034 (3)
C4	0.074 (5)	0.041 (3)	0.094 (5)	−0.032 (3)	0.050 (4)	−0.034 (3)
N1	0.069 (4)	0.037 (3)	0.097 (5)	−0.030 (3)	0.041 (4)	−0.040 (3)
C5	0.074 (5)	0.041 (3)	0.094 (5)	−0.032 (3)	0.050 (4)	−0.034 (3)
C6	0.074 (5)	0.041 (3)	0.094 (5)	−0.032 (3)	0.050 (4)	−0.034 (3)
C3'	0.074 (5)	0.041 (3)	0.094 (5)	−0.032 (3)	0.050 (4)	−0.034 (3)
C4'	0.074 (5)	0.041 (3)	0.094 (5)	−0.032 (3)	0.050 (4)	−0.034 (3)
C5'	0.074 (5)	0.041 (3)	0.094 (5)	−0.032 (3)	0.050 (4)	−0.034 (3)
C6'	0.074 (5)	0.041 (3)	0.094 (5)	−0.032 (3)	0.050 (4)	−0.034 (3)
C7	0.022 (3)	0.026 (3)	0.011 (2)	0.000 (2)	0.004 (2)	−0.0010 (19)
C8	0.018 (2)	0.031 (3)	0.010 (2)	0.004 (2)	0.005 (2)	−0.001 (2)
C9	0.027 (3)	0.047 (3)	0.014 (2)	−0.001 (2)	0.010 (2)	−0.001 (2)
C10	0.036 (3)	0.056 (4)	0.012 (3)	0.012 (3)	0.007 (2)	0.001 (2)
C11	0.023 (3)	0.055 (4)	0.035 (3)	−0.010 (3)	0.005 (3)	−0.011 (3)
C12	0.025 (3)	0.046 (3)	0.019 (3)	−0.005 (3)	0.008 (2)	−0.003 (2)
C13	0.017 (2)	0.012 (2)	0.011 (2)	−0.0018 (18)	0.0005 (18)	−0.0014 (17)
C14	0.021 (2)	0.020 (2)	0.031 (3)	−0.003 (2)	0.006 (2)	−0.009 (2)
C15	0.061 (4)	0.039 (3)	0.108 (6)	−0.021 (3)	0.041 (4)	−0.043 (4)
C16	0.061 (4)	0.039 (3)	0.108 (6)	−0.021 (3)	0.041 (4)	−0.043 (4)
N3	0.063 (4)	0.032 (3)	0.084 (5)	−0.016 (3)	0.011 (4)	−0.031 (3)
C17	0.061 (4)	0.039 (3)	0.108 (6)	−0.021 (3)	0.041 (4)	−0.043 (4)
C18	0.061 (4)	0.039 (3)	0.108 (6)	−0.021 (3)	0.041 (4)	−0.043 (4)
C15'	0.061 (4)	0.039 (3)	0.108 (6)	−0.021 (3)	0.041 (4)	−0.043 (4)
C16'	0.061 (4)	0.039 (3)	0.108 (6)	−0.021 (3)	0.041 (4)	−0.043 (4)
C17'	0.061 (4)	0.039 (3)	0.108 (6)	−0.021 (3)	0.041 (4)	−0.043 (4)
C18'	0.061 (4)	0.039 (3)	0.108 (6)	−0.021 (3)	0.041 (4)	−0.043 (4)

Tb1—O3	2.426 (4)	C6—H6	0.9300
Tb1—O6i	2.432 (3)	C3'—C4'	1.393 (14)
Tb1—O5	2.446 (3)	C3'—H3'	0.9300
Tb1—O2ii	2.466 (3)	C4'—H4'	0.9300
Tb1—O1	2.483 (3)	C5'—C6'	1.410 (14)
Tb1—O4ii	2.491 (4)	C5'—H5'	0.9300
Tb1—O7	2.530 (3)	C6'—H6'	0.9300
Tb1—O8	2.561 (3)	C7—C8	1.495 (7)
O1—C1	1.250 (6)	C8—C12	1.365 (7)
O2—C1	1.249 (5)	C8—C9	1.414 (7)
O2—Tb1ii	2.466 (3)	C9—C10	1.395 (8)
O3—C7	1.258 (6)	C9—H9A	0.9300
O4—C7	1.250 (7)	C10—H10A	0.9300
O4—Tb1ii	2.491 (4)	C11—C12	1.383 (7)
O5—C13	1.247 (6)	C11—H11A	0.9300
O6—C13	1.232 (6)	C12—H12A	0.9300
O6—Tb1i	2.432 (3)	C13—C14	1.513 (6)
O7—H71	0.8413	C14—C18'	1.329 (12)
O7—H72	0.8403	C14—C15	1.360 (13)
O8—H81	0.8508	C14—C18	1.374 (14)
O8—H82	0.8460	C14—C15'	1.415 (12)
N2—C10	1.314 (8)	C15—C16	1.421 (14)
N2—C11	1.316 (8)	C15—H15	0.9300
C1—C2	1.513 (7)	C16—N3	1.252 (14)
C2—C3'	1.356 (13)	C16—H16	0.9300
C2—C6	1.357 (12)	N3—C17'	1.230 (12)
C2—C6'	1.367 (13)	N3—C17	1.338 (14)
C2—C3	1.368 (12)	N3—C16'	1.362 (13)
C3—C4	1.411 (13)	C17—C18	1.423 (14)
C3—H3	0.9300	C17—H17	0.9300
C4—N1	1.261 (12)	C18—H18	0.9300
C4—H4	0.9300	C15'—C16'	1.419 (13)
N1—C4'	1.259 (13)	C15'—H15'	0.9300
N1—C5	1.331 (13)	C16'—H16'	0.9300
N1—C5'	1.349 (13)	C17'—C18'	1.412 (13)
C5—C6	1.401 (13)	C17'—H17'	0.9300
C5—H5	0.9300	C18'—H18'	0.9300
O3—Tb1—O6i	147.12 (12)	C2—C3'—H3'	120.1
O3—Tb1—O5	84.03 (12)	C4'—C3'—H3'	120.1
O6i—Tb1—O5	95.50 (12)	N1—C4'—C3'	124.5 (13)
O3—Tb1—O2ii	70.56 (12)	N1—C4'—H4'	117.8
O6i—Tb1—O2ii	142.13 (12)	C3'—C4'—H4'	117.8
O5—Tb1—O2ii	82.30 (12)	N1—C5'—C6'	123.8 (12)
O3—Tb1—O1	80.33 (11)	N1—C5'—H5'	118.1
O6i—Tb1—O1	78.94 (12)	C6'—C5'—H5'	118.1
O5—Tb1—O1	139.44 (12)	C2—C6'—C5'	116.9 (12)
O2ii—Tb1—O1	125.85 (13)	C2—C6'—H6'	121.6
O3—Tb1—O4ii	120.33 (13)	C5'—C6'—H6'	121.6
O6i—Tb1—O4ii	79.95 (13)	O4—C7—O3	123.8 (5)
O5—Tb1—O4ii	140.54 (12)	O4—C7—C8	117.5 (4)
O2ii—Tb1—O4ii	78.39 (12)	O3—C7—C8	118.7 (5)
O1—Tb1—O4ii	78.61 (12)	C12—C8—C9	118.1 (5)
O3—Tb1—O7	77.28 (12)	C12—C8—C7	122.1 (5)
O6i—Tb1—O7	71.90 (12)	C9—C8—C7	119.8 (5)
O5—Tb1—O7	69.43 (12)	C10—C9—C8	117.2 (6)
O2ii—Tb1—O7	138.97 (12)	C10—C9—H9A	121.4
O1—Tb1—O7	70.70 (11)	C8—C9—H9A	121.4
O4ii—Tb1—O7	141.47 (12)	N2—C10—C9	124.4 (5)
O3—Tb1—O8	136.28 (12)	N2—C10—H10A	117.8
O6i—Tb1—O8	72.55 (12)	C9—C10—H10A	117.8
O5—Tb1—O8	70.81 (12)	N2—C11—C12	124.2 (5)
O2ii—Tb1—O8	71.07 (11)	N2—C11—H11A	117.9
O1—Tb1—O8	140.79 (12)	C12—C11—H11A	117.9
O4ii—Tb1—O8	70.46 (12)	C8—C12—C11	118.9 (5)
O7—Tb1—O8	122.57 (11)	C8—C12—H12A	120.5
C1—O1—Tb1	135.8 (3)	C11—C12—H12A	120.5
C1—O2—Tb1ii	135.9 (3)	O6—C13—O5	125.9 (4)
C7—O3—Tb1	171.2 (4)	O6—C13—C14	117.5 (4)
C7—O4—Tb1ii	107.9 (3)	O5—C13—C14	116.7 (4)
C13—O5—Tb1	134.8 (3)	C18'—C14—C15	96.9 (10)
C13—O6—Tb1i	173.6 (3)	C18'—C14—C18	39.1 (10)
Tb1—O7—H71	122.2	C15—C14—C18	118.0 (9)
Tb1—O7—H72	126.1	C18'—C14—C15'	117.3 (8)
H71—O7—H72	102.6	C15—C14—C15'	41.4 (9)
Tb1—O8—H81	122.0	C18—C14—C15'	110.2 (9)
Tb1—O8—H82	120.6	C18'—C14—C13	124.7 (7)
H81—O8—H82	106.6	C15—C14—C13	122.8 (7)
C10—N2—C11	117.1 (5)	C18—C14—C13	119.0 (7)
O2—C1—O1	127.3 (5)	C15'—C14—C13	117.9 (6)
O2—C1—C2	115.6 (4)	C14—C15—C16	118.1 (13)
O1—C1—C2	117.1 (4)	C14—C15—H15	120.9
C3'—C2—C6	98.8 (10)	C16—C15—H15	120.9
C3'—C2—C6'	118.3 (8)	N3—C16—C15	124.2 (14)
C6—C2—C6'	42.0 (9)	N3—C16—H16	117.9
C3'—C2—C3	42.0 (9)	C15—C16—H16	117.9
C6—C2—C3	117.2 (8)	C17'—N3—C16	93.6 (12)
C6'—C2—C3	105.6 (10)	C17'—N3—C17	41.9 (11)
C3'—C2—C1	123.0 (7)	C16—N3—C17	116.6 (9)
C6—C2—C1	122.2 (7)	C17'—N3—C16'	118.1 (9)
C6'—C2—C1	118.7 (7)	C16—N3—C16'	46.0 (10)
C3—C2—C1	120.5 (6)	C17—N3—C16'	108.1 (10)
C2—C3—C4	118.3 (11)	N3—C17—C18	122.7 (13)
C2—C3—H3	120.8	N3—C17—H17	118.6
C4—C3—H3	120.8	C18—C17—H17	118.6
N1—C4—C3	124.6 (12)	C14—C18—C17	117.5 (12)
N1—C4—H4	117.7	C14—C18—H18	121.3
C3—C4—H4	117.7	C17—C18—H18	121.3
C4'—N1—C4	43.1 (10)	C14—C15'—C16'	117.1 (11)
C4'—N1—C5	95.7 (11)	C14—C15'—H15'	121.4
C4—N1—C5	117.2 (8)	C16'—C15'—H15'	121.4
C4'—N1—C5'	116.3 (9)	N3—C16'—C15'	121.7 (11)
C4—N1—C5'	104.1 (10)	N3—C16'—H16'	119.1
C5—N1—C5'	44.9 (10)	C15'—C16'—H16'	119.1
N1—C5—C6	121.8 (12)	N3—C17'—C18'	124.3 (12)
N1—C5—H5	119.1	N3—C17'—H17'	117.9
C6—C5—H5	119.1	C18'—C17'—H17'	117.9
C2—C6—C5	119.5 (11)	C14—C18'—C17'	120.6 (11)
C2—C6—H6	120.2	C14—C18'—H18'	119.7
C5—C6—H6	120.2	C17'—C18'—H18'	119.7
C2—C3'—C4'	119.7 (12)

D—H···A	D—H	H···A	D···A	D—H···A
O7—H71···N3iii	0.84	1.96	2.787 (7)	168.
O7—H72···N2iv	0.84	1.98	2.802 (5)	167.
O8—H81···N1v	0.85	2.01	2.837 (7)	163.
O8—H82···O7i	0.85	2.16	3.002 (5)	171.

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O7—H71⋯N3i	0.84	1.96	2.787 (7)	168
O7—H72⋯N2ii	0.84	1.98	2.802 (5)	167
O8—H81⋯N1iii	0.85	2.01	2.837 (7)	163
O8—H82⋯O7iv	0.85	2.16	3.002 (5)	171

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