Bis(2-amino-6-methyl-pyrimidin-1-ium-4-olate-κN,O)bis-(nitrato-κO,O')cadmium(II).

In the title compound, [Cd(NO(3))(2)(C(5)H(7)N(3)O)(2)], the Cd(II) atom is eight-coordinated by two amine N atoms and two O atoms from two zwitterionic, biodentate 2-amino-6-methyl-pyrimidin-1-ium-4-olate ligands and by four O atoms from two nitrate groups. Intra-molecular N-H⋯O hydrogen bonds occur. The crystal packing is stabilized by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds, two of which are bifurcated, between the nitrate anions and the organic groups.

Related literature

For common applications of this material, see: Aminabhavi et al. (1986 ▶); Ye et al. (2008 ▶). For the geometry around the Cd atom, see: Han et al. (2008 ▶).

Experimental

Crystal data

[Cd(NO3)2(C5H7N3O)2]

M = 486.69

Triclinic,

a = 7.7230 (12) Å

b = 9.5247 (16) Å

c = 13.113 (2) Å

α = 70.198 (9)°

β = 81.954 (8)°

γ = 69.840 (8)°

V = 851.7 (2) Å3

Z = 2

Mo Kα radiation

μ = 1.34 mm−1

T = 293 K

0.46 × 0.26 × 0.12 mm

Data collection

Bruker APEXII CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 2003 ▶) T min = 0.455, T max = 0.851

17615 measured reflections

4031 independent reflections

3603 reflections with I > 2σ(I)

R int = 0.072

Refinement

R[F 2 > 2σ(F 2)] = 0.035

wR(F 2) = 0.084

S = 1.21

4031 reflections

244 parameters

40 restraints

H-atom parameters constrained

Δρmax = 0.90 e Å−3

Δρmin = −0.53 e Å−3

Data collection: APEX2 (Bruker, 2003 ▶); cell refinement: SAINT (Bruker, 2003 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: PLATON (Spek, 2009 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810015874/bg2342sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810015874/bg2342Isup2.hkl

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

[Cd(NO3)2(C5H7N3O)2]	Z = 2
Mr = 486.69	F(000) = 484
Triclinic, P1	Dx = 1.898 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.7230 (12) Å	Cell parameters from 5520 reflections
b = 9.5247 (16) Å	θ = 2.4–28.1°
c = 13.113 (2) Å	µ = 1.34 mm−1
α = 70.198 (9)°	T = 293 K
β = 81.954 (8)°	Prism, pale yellow
γ = 69.840 (8)°	0.46 × 0.26 × 0.12 mm
V = 851.7 (2) Å3

Bruker APEXII CCD area-detector diffractometer	4031 independent reflections
Radiation source: fine-focus sealed tube	3603 reflections with I > 2σ(I)
graphite	Rint = 0.072
φ and ω scans	θmax = 28.1°, θmin = 1.7°
Absorption correction: multi-scan (SADABS; Sheldrick, 2003)	h = −10→10
Tmin = 0.455, Tmax = 0.851	k = −12→12
17615 measured reflections	l = −17→17

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) = 0.084	H-atom parameters constrained
S = 1.21	w = 1/[σ2(Fo2) + (0.0212P)2 + 0.4728P] where P = (Fo2 + 2Fc2)/3
4031 reflections	(Δ/σ)max = 0.001
244 parameters	Δρmax = 0.90 e Å−3
40 restraints	Δρmin = −0.53 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 > 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
Cd1	0.22645 (3)	0.32956 (3)	0.258827 (17)	0.04945 (10)
O2	0.4649 (4)	0.0693 (3)	0.24489 (17)	0.0565 (6)
N1	0.3762 (4)	0.2872 (3)	0.1050 (2)	0.0498 (7)
N5	0.5178 (5)	0.3015 (4)	−0.0651 (2)	0.0639 (9)
H5	0.5236	0.3549	−0.1324	0.077*
N6	0.2800 (6)	0.5130 (4)	−0.0387 (3)	0.0745 (11)
H6A	0.1992	0.5558	0.0033	0.089*
H6B	0.2888	0.5650	−0.1060	0.089*
C2	0.4911 (5)	0.1373 (4)	0.1459 (2)	0.0507 (8)
C3	0.6252 (6)	0.0693 (4)	0.0768 (3)	0.0601 (10)
H3	0.7046	−0.0329	0.1039	0.072*
C4	0.6385 (6)	0.1518 (5)	−0.0279 (3)	0.0623 (10)
C6	0.3913 (6)	0.3665 (4)	0.0005 (3)	0.0556 (9)
C7	0.7740 (9)	0.0931 (6)	−0.1087 (3)	0.0917 (17)
H7A	0.8576	−0.0085	−0.0729	0.138*
H7B	0.8420	0.1653	−0.1425	0.138*
H7C	0.7097	0.0849	−0.1629	0.138*
O2A	0.4636 (4)	0.4609 (3)	0.25671 (16)	0.0533 (6)
N1A	0.3893 (4)	0.2887 (3)	0.40365 (19)	0.0438 (6)
N5A	0.5494 (4)	0.1982 (3)	0.56308 (19)	0.0488 (7)
H5A	0.5655	0.1384	0.6293	0.059*
N6A	0.3128 (5)	0.1088 (4)	0.5545 (2)	0.0619 (8)
H6C	0.2276	0.1078	0.5192	0.074*
H6D	0.3304	0.0510	0.6211	0.074*
C2A	0.4959 (5)	0.3809 (3)	0.3549 (2)	0.0423 (7)
C3A	0.6342 (5)	0.3833 (4)	0.4149 (2)	0.0456 (7)
H3A	0.7059	0.4487	0.3831	0.055*
C4A	0.6597 (5)	0.2896 (4)	0.5181 (2)	0.0453 (7)
C6A	0.4159 (5)	0.1988 (3)	0.5068 (2)	0.0443 (7)
C7A	0.8029 (6)	0.2786 (5)	0.5881 (3)	0.0638 (11)
H7D	0.8735	0.3460	0.5474	0.096*
H7E	0.8832	0.1719	0.6124	0.096*
H7F	0.7443	0.3110	0.6497	0.096*
O3	−0.1415 (5)	0.0957 (4)	0.3034 (3)	0.0956 (10)
O4	−0.0274 (4)	0.2774 (3)	0.2105 (2)	0.0698 (7)
O5	0.0767 (4)	0.1314 (3)	0.3670 (2)	0.0715 (7)
N7	−0.0335 (4)	0.1660 (3)	0.2942 (3)	0.0566 (7)
O6	−0.2209 (6)	0.7168 (5)	0.2270 (4)	0.1398 (18)
O7	0.0306 (6)	0.6029 (4)	0.1502 (3)	0.0970 (10)
O8	−0.0144 (4)	0.5168 (3)	0.3197 (3)	0.0777 (8)
N8	−0.0712 (7)	0.6164 (4)	0.2318 (4)	0.0848 (12)

	U11	U22	U33	U12	U13	U23
Cd1	0.05007 (18)	0.04931 (15)	0.03951 (15)	−0.02325 (12)	−0.01013 (11)	0.00889 (11)
O2	0.0728 (18)	0.0538 (13)	0.0279 (10)	−0.0242 (12)	−0.0036 (10)	0.0106 (9)
N1	0.0603 (18)	0.0503 (14)	0.0319 (12)	−0.0293 (13)	−0.0118 (12)	0.0116 (11)
N5	0.106 (3)	0.0681 (19)	0.0242 (12)	−0.056 (2)	−0.0100 (15)	0.0095 (13)
N6	0.098 (3)	0.0601 (18)	0.0487 (17)	−0.0347 (18)	−0.0312 (18)	0.0240 (14)
C2	0.064 (2)	0.0525 (18)	0.0323 (15)	−0.0304 (16)	−0.0103 (14)	0.0062 (13)
C3	0.084 (3)	0.0541 (19)	0.0358 (16)	−0.0302 (19)	0.0002 (17)	0.0016 (15)
C4	0.094 (3)	0.067 (2)	0.0363 (16)	−0.049 (2)	0.0020 (18)	−0.0056 (16)
C6	0.077 (3)	0.0561 (19)	0.0347 (16)	−0.0423 (18)	−0.0224 (17)	0.0137 (14)
C7	0.142 (5)	0.100 (3)	0.049 (2)	−0.070 (4)	0.027 (3)	−0.023 (2)
O2A	0.0667 (17)	0.0557 (13)	0.0286 (10)	−0.0307 (12)	−0.0075 (10)	0.0115 (9)
N1A	0.0449 (15)	0.0420 (13)	0.0320 (12)	−0.0162 (11)	−0.0046 (10)	0.0076 (10)
N5A	0.0604 (18)	0.0455 (14)	0.0263 (11)	−0.0142 (13)	−0.0079 (11)	0.0063 (10)
N6A	0.064 (2)	0.0629 (18)	0.0420 (15)	−0.0308 (16)	−0.0009 (14)	0.0144 (13)
C2A	0.0467 (18)	0.0402 (15)	0.0298 (13)	−0.0139 (13)	−0.0013 (12)	0.0017 (12)
C3A	0.0511 (19)	0.0459 (16)	0.0351 (14)	−0.0196 (14)	−0.0007 (13)	−0.0026 (13)
C4A	0.0505 (19)	0.0409 (15)	0.0373 (15)	−0.0096 (14)	−0.0049 (13)	−0.0068 (13)
C6A	0.0471 (18)	0.0388 (15)	0.0330 (14)	−0.0123 (13)	0.0014 (12)	0.0036 (12)
C7A	0.071 (3)	0.064 (2)	0.052 (2)	−0.016 (2)	−0.0212 (19)	−0.0103 (18)
O3	0.086 (2)	0.0819 (19)	0.123 (3)	−0.0598 (18)	0.002 (2)	−0.0050 (19)
O4	0.0662 (16)	0.0681 (15)	0.0648 (15)	−0.0399 (12)	−0.0210 (13)	0.0183 (12)
O5	0.0709 (17)	0.0653 (14)	0.0620 (15)	−0.0327 (12)	−0.0126 (13)	0.0160 (12)
N7	0.0485 (17)	0.0447 (15)	0.0663 (19)	−0.0201 (13)	−0.0011 (15)	0.0005 (14)
O6	0.123 (3)	0.078 (2)	0.142 (3)	0.020 (2)	−0.014 (3)	0.011 (2)
O7	0.108 (2)	0.0589 (14)	0.093 (2)	−0.0209 (14)	−0.0085 (19)	0.0116 (14)
O8	0.0704 (18)	0.0586 (15)	0.0870 (19)	−0.0134 (12)	−0.0107 (14)	−0.0056 (13)
N8	0.084 (3)	0.0497 (19)	0.106 (3)	−0.026 (2)	0.000 (3)	−0.002 (2)

Cd1—N1	2.268 (3)	C7—H7C	0.9600
Cd1—N1A	2.274 (2)	O2A—C2A	1.263 (3)
Cd1—O8	2.354 (3)	N1A—C6A	1.333 (3)
Cd1—O4	2.392 (3)	N1A—C2A	1.352 (4)
Cd1—O5	2.479 (3)	N5A—C6A	1.347 (4)
Cd1—O2A	2.542 (3)	N5A—C4A	1.362 (4)
Cd1—O7	2.544 (3)	N5A—H5A	0.8600
Cd1—O2	2.576 (3)	N6A—C6A	1.315 (4)
O2—C2	1.263 (4)	N6A—H6C	0.8600
N1—C6	1.333 (4)	N6A—H6D	0.8600
N1—C2	1.362 (4)	C2A—C3A	1.423 (4)
N5—C6	1.336 (5)	C3A—C4A	1.343 (4)
N5—C4	1.371 (5)	C3A—H3A	0.9300
N5—H5	0.8600	C4A—C7A	1.488 (5)
N6—C6	1.327 (5)	C7A—H7D	0.9600
N6—H6A	0.8600	C7A—H7E	0.9600
N6—H6B	0.8600	C7A—H7F	0.9600
C2—C3	1.408 (5)	O3—N7	1.208 (4)
C3—C4	1.341 (4)	O4—N7	1.251 (4)
C3—H3	0.9300	O5—N7	1.251 (4)
C4—C7	1.489 (6)	O6—N8	1.213 (5)
C7—H7A	0.9600	O7—N8	1.252 (5)
C7—H7B	0.9600	O8—N8	1.239 (5)
N1—Cd1—N1A	120.14 (10)	N6—C6—N1	119.3 (4)
N1—Cd1—O8	141.62 (10)	N6—C6—N5	119.5 (3)
N1A—Cd1—O8	87.92 (10)	N1—C6—N5	121.1 (3)
N1—Cd1—O4	88.27 (10)	C4—C7—H7A	109.5
N1A—Cd1—O4	142.19 (9)	C4—C7—H7B	109.5
O8—Cd1—O4	81.88 (11)	H7A—C7—H7B	109.5
N1—Cd1—O5	115.01 (10)	C4—C7—H7C	109.5
N1A—Cd1—O5	91.51 (9)	H7A—C7—H7C	109.5
O8—Cd1—O5	87.40 (11)	H7B—C7—H7C	109.5
O4—Cd1—O5	51.91 (9)	C2A—O2A—Cd1	89.6 (2)
N1—Cd1—O2A	84.62 (9)	C6A—N1A—C2A	120.1 (3)
N1A—Cd1—O2A	54.56 (8)	C6A—N1A—Cd1	140.1 (2)
O8—Cd1—O2A	93.25 (10)	C2A—N1A—Cd1	99.45 (17)
O4—Cd1—O2A	161.62 (8)	C6A—N5A—C4A	121.8 (2)
O5—Cd1—O2A	145.97 (8)	C6A—N5A—H5A	119.1
N1—Cd1—O7	90.67 (12)	C4A—N5A—H5A	119.1
N1A—Cd1—O7	122.16 (11)	C6A—N6A—H6C	120.0
O8—Cd1—O7	51.02 (12)	C6A—N6A—H6D	120.0
O4—Cd1—O7	77.85 (11)	H6C—N6A—H6D	120.0
O5—Cd1—O7	119.94 (12)	O2A—C2A—N1A	116.2 (3)
O2A—Cd1—O7	85.30 (11)	O2A—C2A—C3A	124.2 (3)
N1—Cd1—O2	54.13 (8)	N1A—C2A—C3A	119.6 (3)
N1A—Cd1—O2	85.12 (8)	C4A—C3A—C2A	119.0 (3)
O8—Cd1—O2	163.01 (10)	C4A—C3A—H3A	120.5
O4—Cd1—O2	94.21 (10)	C2A—C3A—H3A	120.5
O5—Cd1—O2	77.32 (10)	C3A—C4A—N5A	119.0 (3)
O2A—Cd1—O2	95.29 (9)	C3A—C4A—C7A	123.9 (4)
O7—Cd1—O2	144.40 (11)	N5A—C4A—C7A	117.0 (3)
C2—O2—Cd1	89.2 (2)	N6A—C6A—N1A	120.3 (3)
C6—N1—C2	119.6 (3)	N6A—C6A—N5A	119.2 (3)
C6—N1—Cd1	139.4 (3)	N1A—C6A—N5A	120.5 (3)
C2—N1—Cd1	100.62 (19)	C4A—C7A—H7D	109.5
C6—N5—C4	121.7 (3)	C4A—C7A—H7E	109.5
C6—N5—H5	119.2	H7D—C7A—H7E	109.5
C4—N5—H5	119.2	C4A—C7A—H7F	109.5
C6—N6—H6A	120.0	H7D—C7A—H7F	109.5
C6—N6—H6B	120.0	H7E—C7A—H7F	109.5
H6A—N6—H6B	120.0	N7—O4—Cd1	97.6 (2)
O2—C2—N1	115.6 (3)	N7—O5—Cd1	93.4 (2)
O2—C2—C3	125.2 (3)	O3—N7—O5	122.1 (3)
N1—C2—C3	119.2 (3)	O3—N7—O4	120.9 (3)
C4—C3—C2	120.1 (4)	O5—N7—O4	117.0 (3)
C4—C3—H3	120.0	N8—O7—Cd1	90.7 (2)
C2—C3—H3	120.0	N8—O8—Cd1	100.3 (3)
C3—C4—N5	118.3 (4)	O6—N8—O7	123.2 (5)
C3—C4—C7	125.1 (4)	O6—N8—O8	120.4 (5)
N5—C4—C7	116.6 (3)	O7—N8—O8	116.4 (4)
N1—Cd1—O2—C2	4.3 (2)	O2A—Cd1—N1A—C2A	−2.61 (17)
N1A—Cd1—O2—C2	−128.8 (2)	O7—Cd1—N1A—C2A	−58.1 (2)
O8—Cd1—O2—C2	165.0 (3)	O2—Cd1—N1A—C2A	97.42 (19)
O4—Cd1—O2—C2	89.1 (2)	Cd1—O2A—C2A—N1A	−4.2 (3)
O5—Cd1—O2—C2	138.5 (2)	Cd1—O2A—C2A—C3A	176.0 (3)
O2A—Cd1—O2—C2	−75.1 (2)	C6A—N1A—C2A—O2A	179.1 (3)
O7—Cd1—O2—C2	14.2 (3)	Cd1—N1A—C2A—O2A	4.8 (3)
N1A—Cd1—N1—C6	−119.0 (3)	C6A—N1A—C2A—C3A	−1.1 (5)
O8—Cd1—N1—C6	12.7 (4)	Cd1—N1A—C2A—C3A	−175.4 (2)
O4—Cd1—N1—C6	87.3 (4)	O2A—C2A—C3A—C4A	−178.1 (3)
O5—Cd1—N1—C6	133.3 (3)	N1A—C2A—C3A—C4A	2.1 (5)
O2A—Cd1—N1—C6	−75.7 (4)	C2A—C3A—C4A—N5A	−1.6 (5)
O7—Cd1—N1—C6	9.5 (4)	C2A—C3A—C4A—C7A	178.4 (3)
O2—Cd1—N1—C6	−176.2 (4)	C6A—N5A—C4A—C3A	0.2 (5)
N1A—Cd1—N1—C2	53.2 (2)	C6A—N5A—C4A—C7A	−179.8 (3)
O8—Cd1—N1—C2	−175.10 (19)	C2A—N1A—C6A—N6A	−179.9 (3)
O4—Cd1—N1—C2	−100.5 (2)	Cd1—N1A—C6A—N6A	−8.7 (5)
O5—Cd1—N1—C2	−54.6 (2)	C2A—N1A—C6A—N5A	−0.4 (5)
O2A—Cd1—N1—C2	96.4 (2)	Cd1—N1A—C6A—N5A	170.9 (2)
O7—Cd1—N1—C2	−178.3 (2)	C4A—N5A—C6A—N6A	−179.6 (3)
O2—Cd1—N1—C2	−4.06 (19)	C4A—N5A—C6A—N1A	0.9 (5)
Cd1—O2—C2—N1	−6.4 (3)	N1—Cd1—O4—N7	122.3 (2)
Cd1—O2—C2—C3	174.6 (4)	N1A—Cd1—O4—N7	−19.0 (3)
C6—N1—C2—O2	−178.4 (3)	O8—Cd1—O4—N7	−94.9 (2)
Cd1—N1—C2—O2	7.5 (3)	O5—Cd1—O4—N7	−1.8 (2)
C6—N1—C2—C3	0.6 (5)	O2A—Cd1—O4—N7	−170.5 (2)
Cd1—N1—C2—C3	−173.6 (3)	O7—Cd1—O4—N7	−146.6 (3)
O2—C2—C3—C4	178.7 (4)	O2—Cd1—O4—N7	68.5 (2)
N1—C2—C3—C4	−0.1 (6)	N1—Cd1—O5—N7	−64.1 (2)
C2—C3—C4—N5	−0.7 (6)	N1A—Cd1—O5—N7	171.4 (2)
C2—C3—C4—C7	180.0 (4)	O8—Cd1—O5—N7	83.5 (2)
C6—N5—C4—C3	1.1 (6)	O4—Cd1—O5—N7	1.8 (2)
C6—N5—C4—C7	−179.5 (4)	O2A—Cd1—O5—N7	175.47 (18)
C2—N1—C6—N6	−179.4 (3)	O7—Cd1—O5—N7	42.3 (3)
Cd1—N1—C6—N6	−8.3 (6)	O2—Cd1—O5—N7	−104.0 (2)
C2—N1—C6—N5	−0.2 (5)	Cd1—O5—N7—O3	176.9 (4)
Cd1—N1—C6—N5	171.0 (3)	Cd1—O5—N7—O4	−3.0 (3)
C4—N5—C6—N6	178.6 (3)	Cd1—O4—N7—O3	−176.8 (3)
C4—N5—C6—N1	−0.7 (5)	Cd1—O4—N7—O5	3.2 (4)
N1—Cd1—O2A—C2A	−130.6 (2)	N1—Cd1—O7—N8	170.1 (3)
N1A—Cd1—O2A—C2A	2.76 (18)	N1A—Cd1—O7—N8	−63.0 (3)
O8—Cd1—O2A—C2A	87.9 (2)	O8—Cd1—O7—N8	−7.3 (3)
O4—Cd1—O2A—C2A	161.7 (3)	O4—Cd1—O7—N8	82.0 (3)
O5—Cd1—O2A—C2A	−2.3 (3)	O5—Cd1—O7—N8	50.5 (3)
O7—Cd1—O2A—C2A	138.3 (2)	O2A—Cd1—O7—N8	−105.4 (3)
O2—Cd1—O2A—C2A	−77.41 (19)	O2—Cd1—O7—N8	162.1 (2)
N1—Cd1—N1A—C6A	−118.0 (3)	N1—Cd1—O8—N8	3.3 (4)
O8—Cd1—N1A—C6A	89.6 (3)	N1A—Cd1—O8—N8	143.1 (3)
O4—Cd1—N1A—C6A	15.7 (4)	O4—Cd1—O8—N8	−73.4 (3)
O5—Cd1—N1A—C6A	2.3 (3)	O5—Cd1—O8—N8	−125.3 (3)
O2A—Cd1—N1A—C6A	−174.9 (4)	O2A—Cd1—O8—N8	88.8 (3)
O7—Cd1—N1A—C6A	129.6 (3)	O7—Cd1—O8—N8	7.5 (3)
O2—Cd1—N1A—C6A	−74.9 (3)	O2—Cd1—O8—N8	−151.1 (3)
N1—Cd1—N1A—C2A	54.3 (2)	Cd1—O7—N8—O6	−165.2 (5)
O8—Cd1—N1A—C2A	−98.1 (2)	Cd1—O7—N8—O8	12.1 (4)
O4—Cd1—N1A—C2A	−171.99 (18)	Cd1—O8—N8—O6	164.1 (4)
O5—Cd1—N1A—C2A	174.6 (2)	Cd1—O8—N8—O7	−13.3 (5)

D—H···A	D—H	H···A	D···A	D—H···A
N5—H5···O2Ai	0.86	1.97	2.779 (3)	156
N6—H6A···O7	0.86	2.26	3.090 (6)	163
N6—H6B···O4ii	0.86	2.34	2.892 (4)	122
N6—H6B···O2Ai	0.86	2.56	3.230 (5)	135
N5A—H5A···O2iii	0.86	2.17	2.935 (3)	149
N6A—H6C···O5	0.86	2.36	3.169 (4)	157
N6A—H6D···O2iii	0.86	2.25	2.996 (4)	145
N6A—H6D···O3iv	0.86	2.26	2.765 (4)	117
C3—H3···O6v	0.93	2.31	3.160 (5)	152
C3A—H3A···O8vi	0.93	2.42	3.301 (5)	157

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N5—H5⋯O2Ai	0.86	1.97	2.779 (3)	156
N6—H6A⋯O7	0.86	2.26	3.090 (6)	163
N6—H6B⋯O4ii	0.86	2.34	2.892 (4)	122
N6—H6B⋯O2Ai	0.86	2.56	3.230 (5)	135
N5A—H5A⋯O2iii	0.86	2.17	2.935 (3)	149
N6A—H6C⋯O5	0.86	2.36	3.169 (4)	157
N6A—H6D⋯O2iii	0.86	2.25	2.996 (4)	145
N6A—H6D⋯O3iv	0.86	2.26	2.765 (4)	117
C3—H3⋯O6v	0.93	2.31	3.160 (5)	152
C3A—H3A⋯O8vi	0.93	2.42	3.301 (5)	157

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