Download citation
Download citation
link to html
Ammonioguanidinium hexafluorosilicate, CH8N_4^{2+}·­SiF_6^{2-}, and bis(aminoguanidinium) hexafluorosilicate dihydrate, 2CH7N_4^+·SiF_6^{2-}·2H2O, are new materials formed as by-products in course of preparing ferroelectric CH8N4ZrF6 in the presence of glassware. Their structures were determined for comparison with the corresponding hexafluorozirconates. All atoms including the eight H atoms in the CH8N_4^{2+} cation and the seven H atoms in the CH7N_4^+ cation have been located and refined with wR(F2) = 0.0653, R = 0.0255, S = 1.146 and wR(F2) = 0.0745, R = 0.0301, S = 1.065, respectively. The N2C—N—N backbone of the 2+ cation is close to planarity, while that of the 1+ cation does not differ significantly from planarity. The SiF_6^{2-} octahedron is nearly ideally regular in both materials, with <Si—F> = 1.684 (unbiassed estimator of standard uncertainty = 0.016) Å in the anhydrous hexafluorosilicate and 1.6801 (unbiassed estimator of standard uncertainty = 0.0006) Å in the dihydrate. The combination of coulombic and NH...F interactions in CH8N4SiF6 results in a relatively dense variant of the NaCl structure. In addition to similar forces, the dihydrate is also characterized by the role of the water molecule with its strong NH...O interactions; its packing efficiency is, however, appreciably less than that of the anhydrous hexafluorosilicate with an ∼8% increase in void space. Cleaved crystals of the dihydrate are frequently twinned across the (001) composition plane, with a twofold rotation about the b axis as the twin operation.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks anhydrous, hydrous, global

fcf

Structure factor file (CIF format)
Contains datablock hydrous

fcf

Structure factor file (CIF format)
Contains datablock anhydrous

CCDC references: 132059; 132060

Computing details top

For both compounds, data collection: CAD-4 EXPRESS (Enraf-Nonius, 1988); cell refinement: CAD-4 EXPRESS (Enraf-Nonius, 1988); data reduction: XCAD4 (Harms, 1996); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DRAWXTL (Finger and Kroeker, 1997), ORTEP-III (Burnett and Johnson, 1996).

Figures top
[Figure 1]
[Figure 2]
[Figure 3]
[Figure 4]
(anhydrous) aminoguanidinium(2+) hexafluorosilicate top
Crystal data top
CH8N4·F6SiF(000) = 880
Mr = 218.20Dx = 2.089 Mg m3
Dm = 2.11 (3) Mg m3
Dm measured by pycnometry
Orthorhombic, PccnCu Kα radiation, λ = 1.54180 Å
Hall symbol: -P 2ab 2acCell parameters from 24 reflections
a = 10.4232 (1) Åθ = 42.5–47.5°
b = 17.6675 (2) ŵ = 3.89 mm1
c = 7.5363 (1) ÅT = 293 K
V = 1387.82 (3) Å3Blocky, colorless, clear
Z = 80.29 × 0.17 × 0.16 mm
Data collection top
MACH3
diffractometer
1267 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.019
Graphite monochromatorθmax = 69.7°, θmin = 4.9°
ω – 2θ scanh = 1212
Absorption correction: analytical
using ABSPSI - Alcock, N.W. and Marks, P.J. (1994). J. Appl. Cryst. 27, 200
k = 121
Tmin = 0.415, Tmax = 0.595l = 19
3143 measured reflections3 standard reflections every 60 min
1315 independent reflections intensity decay: 7%
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.026All H-atom parameters refined
wR(F2) = 0.065Calculated w = 1/[σ2(Fo2) + (0.034P)2 + 0.4906P]
where P = (Fo2 + 2Fc2)/3
S = 1.15(Δ/σ)max = 0.001
1315 reflectionsΔρmax = 0.22 e Å3
142 parametersΔρmin = 0.31 e Å3
0 restraintsExtinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0076 (4)
Crystal data top
CH8N4·F6SiV = 1387.82 (3) Å3
Mr = 218.20Z = 8
Orthorhombic, PccnCu Kα radiation
a = 10.4232 (1) ŵ = 3.89 mm1
b = 17.6675 (2) ÅT = 293 K
c = 7.5363 (1) Å0.29 × 0.17 × 0.16 mm
Data collection top
MACH3
diffractometer
1267 reflections with I > 2σ(I)
Absorption correction: analytical
using ABSPSI - Alcock, N.W. and Marks, P.J. (1994). J. Appl. Cryst. 27, 200
Rint = 0.019
Tmin = 0.415, Tmax = 0.5953 standard reflections every 60 min
3143 measured reflections intensity decay: 7%
1315 independent reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0260 restraints
wR(F2) = 0.065All H-atom parameters refined
S = 1.15Δρmax = 0.22 e Å3
1315 reflectionsΔρmin = 0.31 e Å3
142 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
Si0.45067 (3)0.36631 (2)0.61337 (5)0.01893 (15)
F10.53956 (8)0.42962 (5)0.72439 (12)0.0304 (2)
F20.39434 (9)0.43412 (5)0.48043 (12)0.0324 (2)
F30.32849 (8)0.38265 (6)0.75852 (12)0.0357 (2)
F40.50423 (9)0.29678 (5)0.75149 (12)0.0357 (2)
F50.35997 (8)0.30235 (5)0.50833 (11)0.0311 (2)
F60.57320 (9)0.34800 (6)0.47477 (12)0.0376 (3)
C0.61530 (13)0.40105 (8)0.10974 (18)0.0236 (3)
N10.66326 (14)0.33835 (8)0.0451 (2)0.0353 (3)
H1A0.744 (3)0.3375 (13)0.028 (3)0.051 (6)*
H1B0.617 (3)0.3107 (16)0.008 (4)0.074 (8)*
N20.68857 (15)0.45801 (9)0.1506 (3)0.0457 (4)
H2A0.773 (3)0.4530 (13)0.133 (3)0.055 (6)*
H2B0.657 (2)0.4968 (15)0.181 (3)0.055 (7)*
N30.48640 (12)0.40978 (7)0.13244 (17)0.0236 (3)
H30.4682 (18)0.4359 (11)0.206 (3)0.030 (5)*
N40.40871 (12)0.34376 (7)0.12861 (19)0.0258 (3)
H4A0.396 (2)0.3328 (12)0.025 (3)0.042 (6)*
H4B0.332 (2)0.3565 (13)0.173 (3)0.052 (6)*
H4C0.441 (2)0.3017 (14)0.186 (3)0.057 (6)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Si0.0159 (2)0.0211 (2)0.0198 (2)0.00130 (13)0.00007 (12)0.00067 (12)
F10.0303 (4)0.0288 (4)0.0322 (5)0.0101 (3)0.0057 (3)0.0001 (3)
F20.0338 (5)0.0288 (4)0.0347 (5)0.0043 (4)0.0062 (4)0.0060 (3)
F30.0246 (4)0.0508 (5)0.0318 (5)0.0060 (4)0.0101 (4)0.0084 (4)
F40.0447 (5)0.0269 (5)0.0356 (5)0.0031 (4)0.0162 (4)0.0071 (4)
F50.0303 (5)0.0287 (4)0.0342 (5)0.0045 (3)0.0092 (4)0.0046 (3)
F60.0219 (4)0.0586 (6)0.0323 (5)0.0075 (4)0.0049 (4)0.0032 (4)
C0.0201 (6)0.0266 (7)0.0241 (7)0.0000 (5)0.0012 (5)0.0001 (5)
N10.0189 (6)0.0376 (7)0.0494 (9)0.0000 (5)0.0018 (6)0.0158 (6)
N20.0260 (8)0.0304 (7)0.0808 (12)0.0038 (6)0.0019 (7)0.0134 (7)
N30.0209 (6)0.0229 (6)0.0270 (6)0.0013 (5)0.0008 (5)0.0054 (5)
N40.0192 (6)0.0287 (6)0.0296 (7)0.0026 (5)0.0006 (5)0.0026 (5)
Geometric parameters (Å, º) top
Si—F21.6684 (9)N1—H1A0.85 (3)
Si—F51.6727 (8)N1—H1B0.80 (3)
Si—F11.6761 (8)N2—H2A0.89 (3)
Si—F61.6813 (9)N2—H2B0.80 (3)
Si—F31.7034 (9)N3—N41.4203 (17)
Si—F41.7043 (9)N3—H30.74 (2)
C—N21.300 (2)N4—H4A0.82 (2)
C—N11.309 (2)N4—H4B0.90 (3)
C—N31.3632 (19)N4—H4C0.92 (3)
F2—Si—F590.11 (5)N1—C—N3121.25 (13)
F2—Si—F190.87 (5)C—N1—H1A116.7 (15)
F5—Si—F1178.29 (5)C—N1—H1B118 (2)
F2—Si—F691.86 (5)H1A—N1—H1B121 (3)
F5—Si—F690.30 (5)C—N2—H2A117.8 (15)
F1—Si—F691.07 (5)C—N2—H2B119.2 (18)
F2—Si—F390.05 (5)H2A—N2—H2B123 (2)
F5—Si—F389.76 (5)C—N3—N4117.80 (12)
F1—Si—F388.84 (5)C—N3—H3114.5 (15)
F6—Si—F3178.09 (5)N4—N3—H3112.2 (15)
F2—Si—F4178.48 (5)N3—N4—H4A107.8 (15)
F5—Si—F489.26 (4)N3—N4—H4B107.3 (14)
F1—Si—F489.72 (5)H4A—N4—H4B106 (2)
F6—Si—F489.53 (5)N3—N4—H4C116.4 (15)
F3—Si—F488.56 (5)H4A—N4—H4C109 (2)
N2—C—N1121.24 (14)H4B—N4—H4C111 (2)
N2—C—N3117.48 (14)
(hydrous) diaminoguanidinium hexafluorosilicate dihydrate top
Crystal data top
2(CH7N4)·F6Si·2(H2O)Z = 1
Mr = 328.33F(000) = 170
Triclinic, P1Dx = 1.666 Mg m3
Dm = 1.67 (1) Mg m3
Dm measured by pycnometry
a = 6.5124 (1) ÅCu Kα radiation, λ = 1.54180 Å
b = 6.6952 (2) ÅCell parameters from 25 reflections
c = 8.0215 (3) Åθ = 42.5–47.5°
α = 70.723 (2)°µ = 2.49 mm1
β = 82.745 (2)°T = 293 K
γ = 89.243 (3)°Prismatic, colorless, clear
V = 327.35 (2) Å30.35 × 0.31 × 0.17 mm
Data collection top
MACH3
diffractometer
1224 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.027
Graphite monochromatorθmax = 69.8°, θmin = 5.9°
ω – 2θ scansh = 77
Absorption correction: analytical
?
k = 88
Tmin = 0.45, Tmax = 0.61l = 99
2404 measured reflections3 standard reflections every 60 min
1239 independent reflections intensity decay: 5%
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.030All H-atom parameters refined
wR(F2) = 0.075Calculated w = 1/[σ2(Fo2) + (0.0295P)2 + 0.1278P]
where P = (Fo2 + 2Fc2)/3
S = 1.07(Δ/σ)max = 0.001
1239 reflectionsΔρmax = 0.28 e Å3
125 parametersΔρmin = 0.22 e Å3
0 restraintsExtinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.043 (4)
Crystal data top
2(CH7N4)·F6Si·2(H2O)γ = 89.243 (3)°
Mr = 328.33V = 327.35 (2) Å3
Triclinic, P1Z = 1
a = 6.5124 (1) ÅCu Kα radiation
b = 6.6952 (2) ŵ = 2.49 mm1
c = 8.0215 (3) ÅT = 293 K
α = 70.723 (2)°0.35 × 0.31 × 0.17 mm
β = 82.745 (2)°
Data collection top
MACH3
diffractometer
1224 reflections with I > 2σ(I)
Absorption correction: analytical
?
Rint = 0.027
Tmin = 0.45, Tmax = 0.613 standard reflections every 60 min
2404 measured reflections intensity decay: 5%
1239 independent reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0300 restraints
wR(F2) = 0.075All H-atom parameters refined
S = 1.07Δρmax = 0.28 e Å3
1239 reflectionsΔρmin = 0.22 e Å3
125 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
Si0.00000.00000.00000.0310 (2)
F10.04859 (14)0.01478 (16)0.20441 (12)0.0478 (3)
F20.12778 (16)0.23518 (15)0.08741 (14)0.0543 (3)
F30.22230 (14)0.12017 (16)0.03280 (13)0.0531 (3)
C0.4773 (2)0.2381 (2)0.5241 (2)0.0344 (3)
N10.5514 (2)0.1627 (2)0.67681 (19)0.0442 (3)
H1A0.465 (3)0.116 (3)0.777 (3)0.046 (5)*
H1B0.671 (3)0.151 (3)0.679 (2)0.037 (5)*
N20.2754 (2)0.2442 (3)0.5163 (2)0.0461 (4)
H2A0.182 (3)0.193 (3)0.610 (3)0.054 (5)*
H2B0.235 (3)0.294 (3)0.417 (3)0.045 (5)*
N30.6031 (2)0.3118 (2)0.37175 (19)0.0408 (3)
H30.552 (3)0.357 (3)0.277 (3)0.044 (5)*
N40.8184 (2)0.3098 (2)0.3732 (2)0.0430 (3)
H4A0.867 (3)0.443 (4)0.314 (3)0.058 (6)*
H4B0.862 (3)0.227 (4)0.317 (3)0.059 (6)*
O0.7298 (2)0.5611 (3)0.86215 (19)0.0541 (4)
H1W0.749 (4)0.442 (5)0.912 (4)0.077 (8)*
H2W0.769 (4)0.622 (4)0.919 (4)0.081 (9)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Si0.0282 (3)0.0355 (3)0.0253 (3)0.0007 (2)0.00041 (19)0.0063 (2)
F10.0444 (5)0.0667 (6)0.0305 (5)0.0002 (4)0.0050 (4)0.0136 (4)
F20.0635 (7)0.0458 (6)0.0461 (6)0.0167 (5)0.0049 (5)0.0090 (4)
F30.0410 (5)0.0629 (6)0.0488 (6)0.0166 (4)0.0012 (4)0.0129 (5)
C0.0333 (7)0.0319 (7)0.0361 (8)0.0001 (5)0.0005 (6)0.0105 (6)
N10.0344 (8)0.0562 (8)0.0351 (8)0.0029 (6)0.0005 (6)0.0075 (6)
N20.0320 (7)0.0609 (9)0.0390 (8)0.0019 (6)0.0001 (6)0.0094 (7)
N30.0331 (7)0.0508 (8)0.0334 (7)0.0020 (5)0.0004 (5)0.0083 (6)
N40.0313 (7)0.0450 (8)0.0484 (8)0.0014 (6)0.0042 (6)0.0130 (7)
O0.0634 (8)0.0494 (8)0.0497 (8)0.0016 (6)0.0169 (6)0.0131 (6)
Geometric parameters (Å, º) top
Si—F11.6797 (9)N1—H1B0.781 (19)
Si—F1i1.6797 (9)N2—H2A0.88 (2)
Si—F21.6798 (9)N2—H2B0.83 (2)
Si—F2i1.6798 (9)N3—N41.4037 (19)
Si—F3i1.6808 (9)N3—H30.83 (2)
Si—F31.6808 (9)N4—H4A0.90 (2)
C—N11.313 (2)N4—H4B0.85 (2)
C—N21.324 (2)O—H1W0.78 (3)
C—N31.329 (2)O—H2W0.77 (3)
N1—H1A0.89 (2)
F1—Si—F1i180.0N1—C—N3120.98 (14)
F1—Si—F290.35 (5)N2—C—N3117.75 (15)
F1i—Si—F289.65 (5)C—N1—H1A119.6 (12)
F1—Si—F2i89.65 (5)C—N1—H1B120.4 (13)
F1i—Si—F2i90.35 (5)H1A—N1—H1B119.8 (19)
F2—Si—F2i180.0C—N2—H2A123.3 (14)
F1—Si—F3i90.74 (5)C—N2—H2B118.3 (14)
F1i—Si—F3i89.26 (5)H2A—N2—H2B118.3 (19)
F2—Si—F3i89.24 (5)C—N3—N4119.85 (14)
F2i—Si—F3i90.76 (5)C—N3—H3119.0 (13)
F1—Si—F389.26 (5)N4—N3—H3121.1 (13)
F1i—Si—F390.74 (5)N3—N4—H4A106.8 (13)
F2—Si—F390.76 (5)N3—N4—H4B105.1 (15)
F2i—Si—F389.24 (5)H4A—N4—H4B111 (2)
F3i—Si—F3180.0H1W—O—H2W105 (3)
N1—C—N2121.27 (15)
Symmetry code: (i) x, y, z.

Experimental details

(anhydrous)(hydrous)
Crystal data
Chemical formulaCH8N4·F6Si2(CH7N4)·F6Si·2(H2O)
Mr218.20328.33
Crystal system, space groupOrthorhombic, PccnTriclinic, P1
Temperature (K)293293
a, b, c (Å)10.4232 (1), 17.6675 (2), 7.5363 (1)6.5124 (1), 6.6952 (2), 8.0215 (3)
α, β, γ (°)90, 90, 9070.723 (2), 82.745 (2), 89.243 (3)
V3)1387.82 (3)327.35 (2)
Z81
Radiation typeCu KαCu Kα
µ (mm1)3.892.49
Crystal size (mm)0.29 × 0.17 × 0.160.35 × 0.31 × 0.17
Data collection
DiffractometerMACH3
diffractometer
MACH3
diffractometer
Absorption correctionAnalytical
using ABSPSI - Alcock, N.W. and Marks, P.J. (1994). J. Appl. Cryst. 27, 200
Analytical
Tmin, Tmax0.415, 0.5950.45, 0.61
No. of measured, independent and
observed [I > 2σ(I)] reflections
3143, 1315, 1267 2404, 1239, 1224
Rint0.0190.027
(sin θ/λ)max1)0.6080.609
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.026, 0.065, 1.15 0.030, 0.075, 1.07
No. of reflections13151239
No. of parameters142125
H-atom treatmentAll H-atom parameters refinedAll H-atom parameters refined
Δρmax, Δρmin (e Å3)0.22, 0.310.28, 0.22

Computer programs: CAD-4 EXPRESS (Enraf-Nonius, 1988), XCAD4 (Harms, 1996), SHELXS97 (Sheldrick, 1990), SHELXL97 (Sheldrick, 1997), DRAWXTL (Finger and Kroeker, 1997), ORTEP-III (Burnett and Johnson, 1996).

Selected geometric parameters (Å, º) for (anhydrous) top
Si—F21.6684 (9)N1—H1A0.85 (3)
Si—F51.6727 (8)N1—H1B0.80 (3)
Si—F11.6761 (8)N2—H2A0.89 (3)
Si—F61.6813 (9)N2—H2B0.80 (3)
Si—F31.7034 (9)N3—N41.4203 (17)
Si—F41.7043 (9)N3—H30.74 (2)
C—N21.300 (2)N4—H4A0.82 (2)
C—N11.309 (2)N4—H4B0.90 (3)
C—N31.3632 (19)N4—H4C0.92 (3)
F2—Si—F590.11 (5)N1—C—N3121.25 (13)
F2—Si—F190.87 (5)C—N1—H1A116.7 (15)
F5—Si—F1178.29 (5)C—N1—H1B118 (2)
F2—Si—F691.86 (5)H1A—N1—H1B121 (3)
F5—Si—F690.30 (5)C—N2—H2A117.8 (15)
F1—Si—F691.07 (5)C—N2—H2B119.2 (18)
F2—Si—F390.05 (5)H2A—N2—H2B123 (2)
F5—Si—F389.76 (5)C—N3—N4117.80 (12)
F1—Si—F388.84 (5)C—N3—H3114.5 (15)
F6—Si—F3178.09 (5)N4—N3—H3112.2 (15)
F2—Si—F4178.48 (5)N3—N4—H4A107.8 (15)
F5—Si—F489.26 (4)N3—N4—H4B107.3 (14)
F1—Si—F489.72 (5)H4A—N4—H4B106 (2)
F6—Si—F489.53 (5)N3—N4—H4C116.4 (15)
F3—Si—F488.56 (5)H4A—N4—H4C109 (2)
N2—C—N1121.24 (14)H4B—N4—H4C111 (2)
N2—C—N3117.48 (14)
Selected geometric parameters (Å, º) for (hydrous) top
Si—F11.6797 (9)N2—H2A0.88 (2)
Si—F21.6798 (9)N2—H2B0.83 (2)
Si—F31.6808 (9)N3—N41.4037 (19)
C—N11.313 (2)N3—H30.83 (2)
C—N21.324 (2)N4—H4A0.90 (2)
C—N31.329 (2)N4—H4B0.85 (2)
N1—H1A0.89 (2)O—H1W0.78 (3)
N1—H1B0.781 (19)O—H2W0.77 (3)
F1—Si—F290.35 (5)C—N2—H2B118.3 (14)
F1—Si—F389.26 (5)H2A—N2—H2B118.3 (19)
F2—Si—F390.76 (5)C—N3—N4119.85 (14)
N1—C—N2121.27 (15)C—N3—H3119.0 (13)
N1—C—N3120.98 (14)N4—N3—H3121.1 (13)
N2—C—N3117.75 (15)N3—N4—H4A106.8 (13)
C—N1—H1A119.6 (12)N3—N4—H4B105.1 (15)
C—N1—H1B120.4 (13)H4A—N4—H4B111 (2)
H1A—N1—H1B119.8 (19)H1W—O—H2W105 (3)
C—N2—H2A123.3 (14)
 
Follow Acta Cryst. B
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds