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In the title compound, (C7H11N4)2[Ni(H2O)4Cl2]Cl2·4H2O, the Ni complex occupies a special position on the twofold axis; both cation and anions, as well as the water mol­ecules, are in general positions. The multiple crystallographically independent hydrogen bonds form an infinite three-dimensional network in the crystal.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536801003725/ya6010sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536801003725/ya6010Isup2.hkl
Contains datablock I

CCDC reference: 162795

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.008 Å
  • R factor = 0.044
  • wR factor = 0.142
  • Data-to-parameter ratio = 16.7

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


Yellow Alert Alert Level C:
PLAT_745 Alert C D-H Calc 0.84(4), Rep 0.84000 .... Missing s.u. O1 -H1A 1.555 1.555 PLAT_745 Alert C D-H Calc 0.84(4), Rep 0.84000 .... Missing s.u. O1 -H1B 1.555 1.555 PLAT_745 Alert C D-H Calc 0.86(5), Rep 0.85000 .... Missing s.u. O2 -H2A 1.555 1.555 PLAT_745 Alert C D-H Calc 0.84(5), Rep 0.84000 .... Missing s.u. O2 -H2B 1.555 1.555 PLAT_745 Alert C D-H Calc 0.82(6), Rep 0.82000 .... Missing s.u. O3 -H3A 1.555 1.555 PLAT_745 Alert C D-H Calc 0.85(6), Rep 0.85000 .... Missing s.u. O3 -H3B 1.555 1.555 PLAT_745 Alert C D-H Calc 0.86(3), Rep 0.86000 .... Missing s.u. O4 -H4A 1.555 1.555 PLAT_745 Alert C D-H Calc 0.83(4), Rep 0.83000 .... Missing s.u. O4 -H4B 1.555 1.555 PLAT_745 Alert C D-H Calc 0.85(4), Rep 0.85000 .... Missing s.u. N1 -H1 1.555 1.555 PLAT_745 Alert C D-H Calc 0.85(4), Rep 0.85000 .... Missing s.u. N1 -H1 1.555 1.555 PLAT_745 Alert C D-H Calc 0.82(4), Rep 0.82000 .... Missing s.u. N3 -H3C 1.555 1.555 PLAT_745 Alert C D-H Calc 0.84(4), Rep 0.84000 .... Missing s.u. N4 -H4C 1.555 1.555 PLAT_745 Alert C D-H Calc 0.84(4), Rep 0.84000 .... Missing s.u. N4 -H4C 1.555 1.555 PLAT_745 Alert C D-H Calc 0.84(4), Rep 0.84000 .... Missing s.u. N4 -H4D 1.555 1.555 PLAT_745 Alert C D-H Calc 0.86(3), Rep 0.86000 .... Missing s.u. N5 -H5A 1.555 1.555 PLAT_745 Alert C D-H Calc 0.86(3), Rep 0.86000 .... Missing s.u. N5 -H5A 1.555 1.555 PLAT_745 Alert C D-H Calc 0.84(4), Rep 0.84000 .... Missing s.u. N5 -H5B 1.555 1.555 PLAT_746 Alert C H...A Calc 1.99(5), Rep 1.99000 .... Missing s.u. H1A -O4 1.555 5.556 PLAT_746 Alert C H...A Calc 2.31(5), Rep 2.30000 .... Missing s.u. H1B -CL2 1.555 1.555 PLAT_746 Alert C H...A Calc 1.96(5), Rep 1.97000 .... Missing s.u. H2A -O4 1.555 6.566 PLAT_746 Alert C H...A Calc 2.31(5), Rep 2.30000 .... Missing s.u. H2B -CL2 1.555 2.566 PLAT_746 Alert C H...A Calc 2.35(6), Rep 2.35000 .... Missing s.u. H3A -CL1 1.555 1.555 PLAT_746 Alert C H...A Calc 2.42(7), Rep 2.42000 .... Missing s.u. H3B -CL3 1.555 6.566 PLAT_746 Alert C H...A Calc 2.26(4), Rep 2.26000 .... Missing s.u. H4A -CL3 1.555 1.555 PLAT_746 Alert C H...A Calc 2.30(4), Rep 2.31000 .... Missing s.u. H4B -CL2 1.555 6.555 PLAT_746 Alert C H...A Calc 2.42(5), Rep 2.42000 .... Missing s.u. H1 -N2 1.555 1.555 PLAT_746 Alert C H...A Calc 2.29(4), Rep 2.29000 .... Missing s.u. H1 -CL3 1.555 1.555 PLAT_746 Alert C H...A Calc 2.48(5), Rep 2.48000 .... Missing s.u. H3C -CL1 1.555 4.556 PLAT_746 Alert C H...A Calc 2.42(6), Rep 2.43000 .... Missing s.u. H4C -O2 1.555 7.556 PLAT_746 Alert C H...A Calc 2.49(6), Rep 2.49000 .... Missing s.u. H4C -O1 1.555 8.555 PLAT_746 Alert C H...A Calc 2.36(4), Rep 2.35000 .... Missing s.u. H4D -CL2 1.555 4.556 PLAT_746 Alert C H...A Calc 2.37(5), Rep 2.37000 .... Missing s.u. H5A -N2 1.555 1.555 PLAT_746 Alert C H...A Calc 2.39(3), Rep 2.39000 .... Missing s.u. H5A -CL3 1.555 1.555 PLAT_746 Alert C H...A Calc 1.98(4), Rep 1.98000 .... Missing s.u. H5B -O3 1.555 7.556 PLAT_748 Alert C D-H..A Calc 169(4), Rep 169.00 .... Missing s.u. O1 -H1B -CL2 1.555 1.555 1.555 PLAT_748 Alert C D-H..A Calc 172(6), Rep 172.00 .... Missing s.u. O3 -H3A -CL1 1.555 1.555 1.555 PLAT_748 Alert C D-H..A Calc 166(6), Rep 167.00 .... Missing s.u. O4 -H4A -CL3 1.555 1.555 1.555 PLAT_748 Alert C D-H..A Calc 102(3), Rep 101.00 .... Missing s.u. N1 -H1 -N2 1.555 1.555 1.555 PLAT_748 Alert C D-H..A Calc 160(4), Rep 160.00 .... Missing s.u. N1 -H1 -CL3 1.555 1.555 1.555 PLAT_748 Alert C D-H..A Calc 98(4), Rep 98.00 .... Missing s.u. N5 -H5A -N2 1.555 1.555 1.555 PLAT_748 Alert C D-H..A Calc 163(6), Rep 162.00 .... Missing s.u. N5 -H5A -CL3 1.555 1.555 1.555 General Notes
FORMU_01 There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: C14 H38 Cl6 N10 Ni1 O8 Atom count from _chemical_formula_moiety:C14 H38 Cl4 N8 Ni1 O8 ABSTM_02 When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 2.426 Tmax scaled 0.890 Tmin scaled 0.789
0 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
41 Alert Level C = Please check

Comment top

In an attempt to obtain the tetrachloronickelate(II) analogues of tetrachlorocuprate(II) aminoguanidinium compounds (Alstrum-Acevedo et al., 2001), the title compound, (I), was obtained (Fig. 1).

Both pyridyl and guanyl N atoms in (I) are protonated, thus giving rise to a dicationic species. Due to the protonation of the guanyl nitrogen, two NH2 groups are attached to the C atom of the guanidine moiety. The C—N bond distances involving the two NH2 groups, viz. C8—N4 and C8—N5, as well as the N4—C8—N5 angle (Table 1), indicate considerable π-character in the bonding. Delocalization and the intramolecular N1—H1···N2 and N5—H5A···N2 hydrogen bonds (Table 2) are responsible for the planarity of the molecule.

Experimental top

1.0 mmol of aminoguanidine bicarbonate was neutralized by the dropwise addition of concentrated H2SO4 until the evolution of CO2 ceased and then added to a solution of 1.0 mmol of 2-formylpyridine in ethanol, followed by 2–3 drops of H2SO4 to catalyze the reaction. The mixture was refluxed for 5 h and slowly evaporated at ca 308 K to give a yellow solid, m.p. 463–465 K. Compound (I) was prepared by dissolving 1 mmol of the aminoguanidone in approximately 50 ml of a 3:1 EtOH–HCl (12 N) by volume, adding an equimolar amount of NiCl2.6H2O, and subsequent heating of the reaction mixture under reflux for 1 h. The solution was then filtered and the filtrate left until crystals formed.

Refinement top

H-atom positions were located in difference Fourier maps and a riding model with fixed displacement parameters [Uij = 1.2Uij(eq) of the atom to which they are bonded] was used for subsequent refinements. H atoms attached to N and O atoms were refined with fixed bond lengths r(D—H) = 0.85 Å.

Computing details top

Data collection: P4 Software (Siemens, 1995); cell refinement: P4 Software; data reduction: P4 Software; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997).

Figures top
[Figure 1] Fig. 1. A view of (I) with the atom-numbering scheme. Displacement ellipsoids are drawn at the 40% probability level.
Bis(2-pyridiniomethyleneaminoguanidinium) trans-tetraaquadichloronickel(II) dichloride tetrahydrate top
Crystal data top
(C7H11N4)2[Ni(H2O)4Cl2]Cl2·4H2OF(000) = 1544
Mr = 745.95Dx = 1.544 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
a = 24.698 (4) ÅCell parameters from 33 reflections
b = 7.106 (1) Åθ = 2.5–12.5°
c = 18.538 (2) ŵ = 1.16 mm1
β = 99.59 (1)°T = 293 K
V = 3208.0 (8) Å3Prism, yellow
Z = 40.30 × 0.16 × 0.10 mm
Data collection top
Siemens P4/PC
diffractometer
2222 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.046
Graphite monochromatorθmax = 27.5°, θmin = 1.7°
θ/2θ scansh = 132
Absorption correction: ψ scan
(North et al., 1968)
k = 19
Tmin = 0.325, Tmax = 0.367l = 2423
4547 measured reflections3 standard reflections every 97 reflections
3656 independent reflections intensity decay: 3%
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.044Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.142H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0678P)2]
where P = (Fo2 + 2Fc2)/3
3656 reflections(Δ/σ)max = 0.007
219 parametersΔρmax = 0.45 e Å3
14 restraintsΔρmin = 0.46 e Å3
Crystal data top
(C7H11N4)2[Ni(H2O)4Cl2]Cl2·4H2OV = 3208.0 (8) Å3
Mr = 745.95Z = 4
Monoclinic, C2/cMo Kα radiation
a = 24.698 (4) ŵ = 1.16 mm1
b = 7.106 (1) ÅT = 293 K
c = 18.538 (2) Å0.30 × 0.16 × 0.10 mm
β = 99.59 (1)°
Data collection top
Siemens P4/PC
diffractometer
2222 reflections with I > 2σ(I)
Absorption correction: ψ scan
(North et al., 1968)
Rint = 0.046
Tmin = 0.325, Tmax = 0.3673 standard reflections every 97 reflections
4547 measured reflections intensity decay: 3%
3656 independent reflections
Refinement top
R[F2 > 2σ(F2)] = 0.04414 restraints
wR(F2) = 0.142H-atom parameters constrained
S = 1.02Δρmax = 0.45 e Å3
3656 reflectionsΔρmin = 0.46 e Å3
219 parameters
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ni10.00000.15359 (14)0.75000.02568 (18)
Cl10.06641 (4)0.1543 (2)0.85984 (5)0.0369 (3)
Cl20.01733 (5)0.3392 (2)0.90767 (6)0.0416 (3)
Cl30.21325 (5)0.4441 (3)0.34324 (7)0.0571 (4)
O10.04439 (13)0.0467 (5)0.79698 (16)0.0329 (7)
H1A0.0665 (18)0.115 (7)0.769 (2)0.040*
H1B0.028 (2)0.113 (7)0.831 (2)0.040*
O20.04223 (12)0.3594 (6)0.70079 (16)0.0348 (7)
H2A0.061 (2)0.431 (7)0.733 (2)0.042*
H2B0.023 (2)0.439 (7)0.675 (3)0.042*
O30.16180 (17)0.1824 (9)0.7657 (2)0.0638 (14)
H3A0.137 (2)0.164 (12)0.789 (4)0.077*
H3B0.187 (2)0.263 (9)0.780 (4)0.077*
O40.09134 (14)0.3454 (7)0.28761 (19)0.0452 (8)
H4A0.1262 (9)0.354 (11)0.300 (3)0.054*
H4B0.078 (2)0.354 (10)0.326 (2)0.054*
N10.20203 (16)0.5269 (7)0.5040 (2)0.0378 (9)
H10.213 (2)0.492 (9)0.4651 (19)0.045*
C20.23711 (18)0.5220 (7)0.5686 (2)0.0357 (10)
C30.2159 (2)0.5567 (10)0.6320 (3)0.0503 (13)
H30.24170.55890.67900.060*
C40.1603 (2)0.5944 (10)0.6271 (4)0.0587 (16)
H40.14490.62670.67140.070*
C50.1265 (2)0.5990 (9)0.5606 (4)0.0526 (14)
H50.09250.61470.55630.063*
C60.1485 (2)0.5638 (9)0.4985 (3)0.0475 (12)
H60.12750.57500.44780.057*
C70.29455 (18)0.4806 (8)0.5687 (2)0.0369 (10)
H70.31870.45490.61240.044*
C80.38095 (18)0.3966 (7)0.4410 (2)0.0337 (10)
N20.31041 (14)0.4551 (6)0.50681 (18)0.0331 (8)
N30.36439 (14)0.4160 (7)0.50747 (19)0.0347 (9)
H3C0.3840 (19)0.438 (9)0.5469 (17)0.042*
N40.43360 (17)0.3601 (9)0.4416 (2)0.0472 (11)
H4C0.439 (3)0.338 (11)0.3988 (17)0.057*
H4D0.451 (2)0.318 (9)0.481 (2)0.057*
N50.34519 (17)0.4116 (8)0.3810 (2)0.0442 (11)
H5A0.3109 (11)0.437 (10)0.379 (3)0.053*
H5B0.352 (2)0.375 (9)0.3404 (19)0.053*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ni10.0262 (3)0.0259 (4)0.0236 (3)0.0000.0003 (2)0.000
Cl10.0366 (5)0.0395 (6)0.0302 (4)0.0008 (5)0.0070 (4)0.0024 (5)
Cl20.0472 (6)0.0406 (6)0.0347 (5)0.0040 (6)0.0001 (4)0.0031 (5)
Cl30.0395 (6)0.0873 (11)0.0408 (6)0.0026 (7)0.0046 (4)0.0023 (7)
O10.0364 (15)0.0297 (17)0.0313 (14)0.0070 (15)0.0014 (11)0.0011 (14)
O20.0368 (15)0.0319 (17)0.0336 (14)0.0012 (16)0.0006 (11)0.0035 (15)
O30.049 (2)0.102 (4)0.0419 (18)0.005 (3)0.0096 (16)0.006 (2)
O40.0436 (17)0.048 (2)0.0422 (16)0.004 (2)0.0019 (14)0.0055 (19)
N10.0360 (18)0.039 (2)0.0379 (18)0.0005 (18)0.0032 (15)0.0047 (18)
C20.035 (2)0.036 (3)0.036 (2)0.007 (2)0.0080 (16)0.0049 (19)
C30.051 (3)0.061 (4)0.041 (2)0.010 (3)0.013 (2)0.003 (3)
C40.054 (3)0.060 (4)0.069 (4)0.004 (3)0.031 (3)0.006 (3)
C50.034 (2)0.047 (3)0.079 (4)0.004 (2)0.016 (2)0.000 (3)
C60.037 (2)0.039 (3)0.064 (3)0.001 (2)0.000 (2)0.008 (3)
C70.033 (2)0.044 (3)0.0325 (19)0.005 (2)0.0008 (16)0.000 (2)
C80.036 (2)0.033 (2)0.0315 (18)0.0010 (19)0.0051 (16)0.0018 (17)
N20.0301 (16)0.038 (2)0.0292 (16)0.0012 (17)0.0004 (13)0.0035 (17)
N30.0280 (16)0.049 (2)0.0254 (15)0.0001 (17)0.0003 (12)0.0026 (16)
N40.0396 (19)0.067 (3)0.0372 (18)0.009 (2)0.0120 (16)0.013 (2)
N50.043 (2)0.061 (3)0.0263 (16)0.007 (2)0.0020 (15)0.0007 (19)
Geometric parameters (Å, º) top
Ni1—O1i2.075 (3)C2—C71.449 (6)
Ni1—O12.075 (3)C3—C41.386 (8)
Ni1—O22.092 (4)C4—C51.369 (9)
Ni1—O2i2.092 (4)C5—C61.376 (8)
Ni1—Cl12.3923 (9)C7—N21.286 (6)
Ni1—Cl1i2.3924 (9)C8—N31.368 (5)
N1—C61.334 (6)C8—N41.324 (6)
N1—C21.356 (6)C8—N51.304 (6)
C2—C31.386 (7)N2—N31.360 (5)
O1i—Ni1—O193.4 (2)C6—N1—C2123.5 (4)
O1i—Ni1—O287.70 (13)N1—C2—C3117.9 (4)
O1—Ni1—O2178.04 (13)N1—C2—C7119.2 (4)
O1i—Ni1—O2i178.05 (13)C3—C2—C7122.9 (4)
O1—Ni1—O2i87.71 (13)C2—C3—C4119.2 (5)
O2—Ni1—O2i91.3 (2)C5—C4—C3120.9 (5)
O1i—Ni1—Cl191.35 (9)C4—C5—C6118.7 (5)
O1—Ni1—Cl188.83 (9)N1—C6—C5119.8 (5)
O2—Ni1—Cl192.79 (9)N2—C7—C2118.1 (4)
O2i—Ni1—Cl187.03 (9)N5—C8—N4123.2 (4)
O1i—Ni1—Cl1i88.82 (9)N5—C8—N3119.9 (4)
O1—Ni1—Cl1i91.34 (9)N4—C8—N3116.9 (4)
O2—Ni1—Cl1i87.03 (9)C7—N2—N3117.7 (4)
O2i—Ni1—Cl1i92.79 (9)N2—N3—C8116.9 (3)
Cl1—Ni1—Cl1i179.75 (9)
Symmetry code: (i) x, y, z+3/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1—H1A···O4ii0.841.992.775 (5)156
O1—H1B···Cl20.842.303.132 (4)169
O2—H2A···O4iii0.851.972.795 (6)163
O2—H2B···Cl2iv0.842.303.131 (4)169
O3—H3A···Cl10.822.353.163 (4)172
O3—H3B···Cl3iii0.852.423.180 (6)147
O4—H4A···Cl30.862.263.096 (4)167
O4—H4B···Cl2v0.832.313.107 (4)161
N1—H1···N20.852.422.717 (5)101
N1—H1···Cl30.852.293.096 (4)160
N3—H3C···Cl1vi0.822.483.231 (4)153
N4—H4C···O2vii0.842.433.207 (6)155
N4—H4C···O1viii0.842.493.119 (5)132
N4—H4D···Cl2vi0.842.353.187 (4)168
N5—H5A···N20.862.372.634 (5)98
N5—H5A···Cl30.862.393.225 (4)162
N5—H5B···O3vii0.841.982.778 (6)157
Symmetry codes: (ii) x, y, z+1; (iii) x, y+1, z+1/2; (iv) x, y+1, z+3/2; (v) x, y, z1/2; (vi) x+1/2, y+1/2, z+3/2; (vii) x+1/2, y+1/2, z+1; (viii) x+1/2, y+1/2, z1/2.

Experimental details

Crystal data
Chemical formula(C7H11N4)2[Ni(H2O)4Cl2]Cl2·4H2O
Mr745.95
Crystal system, space groupMonoclinic, C2/c
Temperature (K)293
a, b, c (Å)24.698 (4), 7.106 (1), 18.538 (2)
β (°) 99.59 (1)
V3)3208.0 (8)
Z4
Radiation typeMo Kα
µ (mm1)1.16
Crystal size (mm)0.30 × 0.16 × 0.10
Data collection
DiffractometerSiemens P4/PC
diffractometer
Absorption correctionψ scan
(North et al., 1968)
Tmin, Tmax0.325, 0.367
No. of measured, independent and
observed [I > 2σ(I)] reflections
4547, 3656, 2222
Rint0.046
(sin θ/λ)max1)0.650
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.044, 0.142, 1.02
No. of reflections3656
No. of parameters219
No. of restraints14
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.45, 0.46

Computer programs: P4 Software (Siemens, 1995), P4 Software, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997).

Selected geometric parameters (Å, º) top
Ni1—O12.075 (3)C4—C51.369 (9)
Ni1—O22.092 (4)C5—C61.376 (8)
Ni1—Cl12.3923 (9)C7—N21.286 (6)
N1—C61.334 (6)C8—N31.368 (5)
N1—C21.356 (6)C8—N41.324 (6)
C2—C31.386 (7)C8—N51.304 (6)
C2—C71.449 (6)N2—N31.360 (5)
C3—C41.386 (8)
O1—Ni1—O2178.04 (13)N5—C8—N4123.2 (4)
O1—Ni1—Cl188.83 (9)N5—C8—N3119.9 (4)
O2—Ni1—Cl192.79 (9)N4—C8—N3116.9 (4)
N1—C2—C7119.2 (4)C7—N2—N3117.7 (4)
N2—C7—C2118.1 (4)N2—N3—C8116.9 (3)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1—H1A···O4i0.841.992.775 (5)156
O1—H1B···Cl20.842.303.132 (4)169
O2—H2A···O4ii0.851.972.795 (6)163
O2—H2B···Cl2iii0.842.303.131 (4)169
O3—H3A···Cl10.822.353.163 (4)172
O3—H3B···Cl3ii0.852.423.180 (6)147
O4—H4A···Cl30.862.263.096 (4)167
O4—H4B···Cl2iv0.832.313.107 (4)161
N1—H1···N20.852.422.717 (5)101
N1—H1···Cl30.852.293.096 (4)160
N3—H3C···Cl1v0.822.483.231 (4)153
N4—H4C···O2vi0.842.433.207 (6)155
N4—H4C···O1vii0.842.493.119 (5)132
N4—H4D···Cl2v0.842.353.187 (4)168
N5—H5A···N20.862.372.634 (5)98
N5—H5A···Cl30.862.393.225 (4)162
N5—H5B···O3vi0.841.982.778 (6)157
Symmetry codes: (i) x, y, z+1; (ii) x, y+1, z+1/2; (iii) x, y+1, z+3/2; (iv) x, y, z1/2; (v) x+1/2, y+1/2, z+3/2; (vi) x+1/2, y+1/2, z+1; (vii) x+1/2, y+1/2, z1/2.
 

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