organic compounds
4-Methoxyanilinium hexafluorophosphate monohydrate
aOrdered Matter Science Research Center, Southeast University, Nanjing 210096, People's Republic of China
*Correspondence e-mail: fuxuequn222@163.com
In the structure of the title compound, C7H10NO+·PF6−·H2O, the protonated 4-methoxyanilinium cations and hexafluorophosphate anions are bridged by the water molecule via N—H⋯O and O—H⋯F hydrogen bonds. The resulting zigzag chains extend along the c axis. In addition, C—H⋯π interactions are observed in the crystal packing.
Related literature
The title compound was studied as part of our search for ferroelectric compounds, which usually have a et al. (2008); Zhang et al. (2009); Fu (2009).
For background to phase-transition materials, see: LiExperimental
Crystal data
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Refinement
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Data collection: CrystalClear (Rigaku, 2005); cell CrystalClear; data reduction: CrystalClear; 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: PRPKAPPA (Ferguson, 1999).
Supporting information
10.1107/S1600536810022348/im2206sup1.cif
contains datablocks I, global. DOI:Structure factors: contains datablock I. DOI: 10.1107/S1600536810022348/im2206Isup2.hkl
1.23 g (10 mmol) 4-Methoxyaniline was dissolved in 10 ml e thanol, to which hexafluorophosphoric acid in aqueous solution (70% w/w) was then added under stirring until the pH of the solution was ca 6. Ethanol was added until all suspended substrates disappeared. Single crystals of the title compound were prepared by slow evaporation of the acidic solution at room temperature of the acidic solution after 3 days giving a yield of 85%.
Positional parameters of all the H atoms bonded to C atoms were calculated geometrically and were allowed to ride on the C atoms to which they are bonded, with Uiso(H) = 1.2Ueq(C) and Uiso(H) = 1.5Ueq(C) for the methyl group. H atoms bonded to N and O atoms were found in the difference Fourier maps and were refined using restraints for O—H and N—H bond distances (0.85–0.86 Å) and angles at the corresponding O and N atoms. Thermal parameters of these hydrogen atoms were refined freely.
Data collection: CrystalClear (Rigaku, 2005); cell
CrystalClear (Rigaku, 2005); data reduction: CrystalClear (Rigaku, 2005); 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: PRPKAPPA (Ferguson, 1999).Fig. 1. Molecular structure of the title compound, with the atomic numbering scheme. Displacement ellipsoids are drawn at the 30% probability level. | |
Fig. 2. View of the packing of the title compound, stacking along the b axis. Dashed lines indicate hydrogen bonds. |
C7H10NO+·PF6−·H2O | F(000) = 584 |
Mr = 287.15 | Dx = 1.684 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 5000 reflections |
a = 15.152 (3) Å | θ = 3.1–27.6° |
b = 5.079 (1) Å | µ = 0.32 mm−1 |
c = 14.758 (3) Å | T = 298 K |
β = 94.26 (3)° | Prism, colourless |
V = 1132.6 (4) Å3 | 0.20 × 0.20 × 0.20 mm |
Z = 4 |
Rigaku SCXmini diffractometer | 2602 independent reflections |
Radiation source: fine-focus sealed tube | 2083 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.052 |
Detector resolution: 13.6612 pixels mm-1 | θmax = 27.5°, θmin = 3.2° |
ω scans | h = −19→19 |
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005) | k = −6→6 |
Tmin = 0.939, Tmax = 0.939 | l = −19→18 |
11166 measured reflections |
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)] = 0.053 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.145 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.06 | w = 1/[σ2(Fo2) + (0.0694P)2 + 0.5932P] where P = (Fo2 + 2Fc2)/3 |
2602 reflections | (Δ/σ)max < 0.001 |
199 parameters | Δρmax = 0.45 e Å−3 |
3 restraints | Δρmin = −0.43 e Å−3 |
C7H10NO+·PF6−·H2O | V = 1132.6 (4) Å3 |
Mr = 287.15 | Z = 4 |
Monoclinic, P21/c | Mo Kα radiation |
a = 15.152 (3) Å | µ = 0.32 mm−1 |
b = 5.079 (1) Å | T = 298 K |
c = 14.758 (3) Å | 0.20 × 0.20 × 0.20 mm |
β = 94.26 (3)° |
Rigaku SCXmini diffractometer | 2602 independent reflections |
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005) | 2083 reflections with I > 2σ(I) |
Tmin = 0.939, Tmax = 0.939 | Rint = 0.052 |
11166 measured reflections |
R[F2 > 2σ(F2)] = 0.053 | 3 restraints |
wR(F2) = 0.145 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.06 | Δρmax = 0.45 e Å−3 |
2602 reflections | Δρmin = −0.43 e Å−3 |
199 parameters |
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 | Occ. (<1) | |
N1 | 0.83257 (13) | 0.3532 (5) | 0.34412 (16) | 0.0380 (5) | |
H1B | 0.8411 (18) | 0.369 (5) | 0.287 (2) | 0.044 (7)* | |
H1A | 0.8573 (19) | 0.507 (6) | 0.368 (2) | 0.054 (8)* | |
H1C | 0.858 (2) | 0.217 (7) | 0.365 (2) | 0.059 (9)* | |
C1 | 0.73739 (14) | 0.3340 (4) | 0.35733 (15) | 0.0341 (5) | |
C6 | 0.70834 (17) | 0.1498 (5) | 0.41677 (18) | 0.0464 (6) | |
H6A | 0.7482 | 0.0365 | 0.4479 | 0.056* | |
C4 | 0.56043 (16) | 0.3061 (5) | 0.38507 (18) | 0.0456 (6) | |
C2 | 0.67959 (18) | 0.5003 (5) | 0.3115 (2) | 0.0523 (7) | |
H2A | 0.7001 | 0.6220 | 0.2709 | 0.063* | |
O1 | 0.47356 (12) | 0.2800 (5) | 0.40334 (16) | 0.0671 (6) | |
C5 | 0.61892 (17) | 0.1359 (6) | 0.42951 (19) | 0.0520 (7) | |
H5A | 0.5984 | 0.0100 | 0.4686 | 0.062* | |
C3 | 0.58996 (18) | 0.4883 (6) | 0.3253 (2) | 0.0568 (8) | |
H3A | 0.5503 | 0.6025 | 0.2945 | 0.068* | |
C7 | 0.4131 (2) | 0.4775 (8) | 0.3713 (3) | 0.0747 (10) | |
H7A | 0.3550 | 0.4345 | 0.3887 | 0.112* | |
H7B | 0.4122 | 0.4878 | 0.3063 | 0.112* | |
H7C | 0.4312 | 0.6440 | 0.3973 | 0.112* | |
O1W | 0.91135 (11) | −0.1445 (4) | 0.40178 (13) | 0.0430 (4) | |
H1WA | 0.925 (2) | −0.165 (7) | 0.4589 (12) | 0.069 (10)* | |
H1WB | 0.9587 (16) | −0.128 (8) | 0.3745 (18) | 0.082 (12)* | |
P1 | 0.87333 (4) | 0.53074 (12) | 0.62599 (4) | 0.0359 (2) | |
F5 | 0.8065 (12) | 0.680 (4) | 0.5640 (14) | 0.067 (5) | 0.582 (6) |
F3 | 0.7987 (3) | 0.3110 (9) | 0.6454 (3) | 0.0524 (4) | 0.582 (6) |
F1 | 0.8401 (3) | 0.7005 (8) | 0.7068 (3) | 0.0524 (4) | 0.582 (6) |
F4 | 0.9546 (19) | 0.699 (6) | 0.5972 (19) | 0.069 (5) | 0.582 (6) |
F6 | 0.9439 (11) | 0.379 (3) | 0.6897 (13) | 0.067 (4) | 0.582 (6) |
F2 | 0.9045 (3) | 0.3475 (11) | 0.5434 (3) | 0.0524 (4) | 0.582 (6) |
F3' | 0.7951 (4) | 0.3803 (12) | 0.6680 (4) | 0.0524 (4) | 0.418 (6) |
F5' | 0.8045 (13) | 0.667 (4) | 0.5461 (19) | 0.046 (2) | 0.418 (6) |
F1' | 0.8666 (4) | 0.7675 (12) | 0.6988 (4) | 0.0524 (4) | 0.418 (6) |
F6' | 0.9394 (13) | 0.388 (4) | 0.7046 (18) | 0.047 (2) | 0.418 (6) |
F4' | 0.945 (2) | 0.740 (8) | 0.598 (2) | 0.065 (6) | 0.418 (6) |
F2' | 0.8876 (4) | 0.3068 (15) | 0.5555 (5) | 0.0524 (4) | 0.418 (6) |
U11 | U22 | U33 | U12 | U13 | U23 | |
N1 | 0.0359 (11) | 0.0378 (11) | 0.0412 (12) | −0.0003 (9) | 0.0080 (9) | 0.0002 (9) |
C1 | 0.0338 (11) | 0.0351 (11) | 0.0340 (11) | −0.0031 (9) | 0.0065 (9) | −0.0053 (9) |
C6 | 0.0441 (13) | 0.0461 (14) | 0.0498 (14) | 0.0043 (11) | 0.0088 (11) | 0.0103 (11) |
C4 | 0.0356 (12) | 0.0542 (15) | 0.0479 (14) | −0.0046 (11) | 0.0088 (10) | −0.0055 (12) |
C2 | 0.0456 (14) | 0.0516 (15) | 0.0606 (17) | 0.0013 (12) | 0.0091 (12) | 0.0214 (13) |
O1 | 0.0357 (10) | 0.0845 (15) | 0.0826 (15) | −0.0045 (10) | 0.0152 (9) | 0.0085 (12) |
C5 | 0.0486 (15) | 0.0540 (16) | 0.0552 (16) | −0.0036 (12) | 0.0156 (12) | 0.0134 (13) |
C3 | 0.0411 (14) | 0.0623 (18) | 0.0668 (18) | 0.0074 (13) | 0.0021 (13) | 0.0176 (14) |
C7 | 0.0395 (15) | 0.100 (3) | 0.086 (2) | 0.0104 (17) | 0.0084 (15) | −0.015 (2) |
O1W | 0.0348 (9) | 0.0483 (10) | 0.0466 (10) | −0.0002 (8) | 0.0074 (8) | 0.0041 (8) |
P1 | 0.0356 (3) | 0.0405 (3) | 0.0323 (3) | 0.0051 (2) | 0.0072 (2) | 0.0037 (2) |
F5 | 0.067 (4) | 0.088 (5) | 0.045 (8) | 0.016 (3) | −0.004 (3) | 0.024 (4) |
F3 | 0.0545 (9) | 0.0554 (14) | 0.0500 (10) | −0.0045 (8) | 0.0216 (9) | −0.0070 (6) |
F1 | 0.0545 (9) | 0.0554 (14) | 0.0500 (10) | −0.0045 (8) | 0.0216 (9) | −0.0070 (6) |
F4 | 0.053 (3) | 0.074 (11) | 0.079 (5) | −0.014 (4) | 0.008 (3) | 0.016 (5) |
F6 | 0.059 (4) | 0.102 (5) | 0.039 (6) | 0.035 (4) | 0.005 (3) | 0.008 (3) |
F2 | 0.0545 (9) | 0.0554 (14) | 0.0500 (10) | −0.0045 (8) | 0.0216 (9) | −0.0070 (6) |
F3' | 0.0545 (9) | 0.0554 (14) | 0.0500 (10) | −0.0045 (8) | 0.0216 (9) | −0.0070 (6) |
F5' | 0.043 (4) | 0.060 (4) | 0.034 (7) | 0.016 (3) | −0.003 (3) | 0.020 (4) |
F1' | 0.0545 (9) | 0.0554 (14) | 0.0500 (10) | −0.0045 (8) | 0.0216 (9) | −0.0070 (6) |
F6' | 0.038 (4) | 0.068 (5) | 0.037 (7) | 0.008 (4) | 0.006 (3) | 0.017 (4) |
F4' | 0.070 (13) | 0.058 (8) | 0.065 (6) | −0.033 (10) | −0.001 (7) | 0.003 (5) |
F2' | 0.0545 (9) | 0.0554 (14) | 0.0500 (10) | −0.0045 (8) | 0.0216 (9) | −0.0070 (6) |
N1—C1 | 1.473 (3) | C7—H7B | 0.9600 |
N1—H1B | 0.87 (3) | C7—H7C | 0.9600 |
N1—H1A | 0.92 (3) | O1W—H1WA | 0.860 (17) |
N1—H1C | 0.84 (3) | O1W—H1WB | 0.853 (17) |
C1—C2 | 1.360 (3) | P1—F5 | 1.516 (17) |
C1—C6 | 1.377 (3) | P1—F2' | 1.567 (8) |
C6—C5 | 1.383 (3) | P1—F6 | 1.571 (17) |
C6—H6A | 0.9300 | P1—F3' | 1.576 (7) |
C4—O1 | 1.370 (3) | P1—F4 | 1.58 (3) |
C4—C5 | 1.370 (4) | P1—F1 | 1.584 (4) |
C4—C3 | 1.376 (4) | P1—F4' | 1.60 (4) |
C2—C3 | 1.390 (4) | P1—F1' | 1.621 (6) |
C2—H2A | 0.9300 | P1—F3 | 1.629 (5) |
O1—C7 | 1.415 (4) | P1—F2 | 1.631 (6) |
C5—H5A | 0.9300 | P1—F6' | 1.64 (2) |
C3—H3A | 0.9300 | P1—F5' | 1.67 (2) |
C7—H7A | 0.9600 | ||
C1—N1—H1B | 110.7 (18) | F4—P1—F1 | 101.9 (11) |
C1—N1—H1A | 112.3 (18) | F5—P1—F4' | 87.0 (17) |
H1B—N1—H1A | 102 (3) | F2'—P1—F4' | 100.4 (14) |
C1—N1—H1C | 108 (2) | F6—P1—F4' | 92.0 (16) |
H1B—N1—H1C | 110 (3) | F3'—P1—F4' | 166.3 (15) |
H1A—N1—H1C | 113 (3) | F1—P1—F4' | 95.4 (14) |
C2—C1—C6 | 121.0 (2) | F5—P1—F1' | 87.6 (8) |
C2—C1—N1 | 119.6 (2) | F2'—P1—F1' | 175.6 (2) |
C6—C1—N1 | 119.5 (2) | F6—P1—F1' | 92.3 (8) |
C1—C6—C5 | 118.9 (2) | F3'—P1—F1' | 90.73 (19) |
C1—C6—H6A | 120.5 | F4—P1—F1' | 82.4 (11) |
C5—C6—H6A | 120.5 | F4'—P1—F1' | 75.9 (14) |
O1—C4—C5 | 116.2 (2) | F5—P1—F3 | 90.4 (8) |
O1—C4—C3 | 123.7 (3) | F2'—P1—F3 | 75.58 (18) |
C5—C4—C3 | 120.1 (2) | F6—P1—F3 | 90.6 (5) |
C1—C2—C3 | 120.0 (2) | F4—P1—F3 | 168.8 (12) |
C1—C2—H2A | 120.0 | F1—P1—F3 | 88.68 (14) |
C3—C2—H2A | 120.0 | F4'—P1—F3 | 175.0 (12) |
C4—O1—C7 | 118.2 (2) | F1'—P1—F3 | 108.24 (18) |
C4—C5—C6 | 120.5 (2) | F5—P1—F2 | 93.0 (8) |
C4—C5—H5A | 119.7 | F6—P1—F2 | 86.9 (8) |
C6—C5—H5A | 119.7 | F3'—P1—F2 | 106.6 (2) |
C4—C3—C2 | 119.4 (3) | F4—P1—F2 | 80.3 (11) |
C4—C3—H3A | 120.3 | F1—P1—F2 | 177.73 (15) |
C2—C3—H3A | 120.3 | F4'—P1—F2 | 86.8 (14) |
O1—C7—H7A | 109.5 | F1'—P1—F2 | 162.7 (2) |
O1—C7—H7B | 109.5 | F3—P1—F2 | 89.06 (16) |
H7A—C7—H7B | 109.5 | F5—P1—F6' | 172.2 (12) |
O1—C7—H7C | 109.5 | F2'—P1—F6' | 92.5 (9) |
H7A—C7—H7C | 109.5 | F3'—P1—F6' | 86.9 (6) |
H7B—C7—H7C | 109.5 | F4—P1—F6' | 88.9 (13) |
H1WA—O1W—H1WB | 109 (2) | F1—P1—F6' | 85.4 (10) |
F5—P1—F2' | 94.6 (9) | F4'—P1—F6' | 94.9 (16) |
F5—P1—F6 | 179.0 (9) | F1'—P1—F6' | 85.6 (9) |
F2'—P1—F6 | 85.5 (8) | F3—P1—F6' | 88.3 (5) |
F5—P1—F3' | 89.5 (8) | F2—P1—F6' | 94.7 (10) |
F2'—P1—F3' | 93.1 (2) | F2'—P1—F5' | 86.7 (9) |
F6—P1—F3' | 91.5 (6) | F6—P1—F5' | 171.6 (12) |
F5—P1—F4 | 93.9 (14) | F3'—P1—F5' | 91.7 (8) |
F2'—P1—F4 | 93.7 (11) | F4—P1—F5' | 92.6 (14) |
F6—P1—F4 | 85.1 (13) | F1—P1—F5' | 95.1 (9) |
F3'—P1—F4 | 172.2 (10) | F4'—P1—F5' | 86.6 (16) |
F5—P1—F1 | 86.9 (8) | F1'—P1—F5' | 95.4 (9) |
F2'—P1—F1 | 164.18 (19) | F3—P1—F5' | 90.2 (8) |
F6—P1—F1 | 93.3 (8) | F2—P1—F5' | 84.8 (9) |
F3'—P1—F1 | 71.17 (18) | F6'—P1—F5' | 178.4 (10) |
C2—C1—C6—C5 | −0.1 (4) | O1—C4—C5—C6 | −178.9 (3) |
N1—C1—C6—C5 | 179.2 (2) | C3—C4—C5—C6 | 1.7 (4) |
C6—C1—C2—C3 | 0.9 (4) | C1—C6—C5—C4 | −1.3 (4) |
N1—C1—C2—C3 | −178.3 (3) | O1—C4—C3—C2 | 179.8 (3) |
C5—C4—O1—C7 | 169.6 (3) | C5—C4—C3—C2 | −0.8 (4) |
C3—C4—O1—C7 | −11.0 (4) | C1—C2—C3—C4 | −0.5 (5) |
D—H···A | D—H | H···A | D···A | D—H···A |
N1—H1C···O1W | 0.84 (3) | 2.06 (3) | 2.896 (3) | 172 (3) |
N1—H1A···O1Wi | 0.92 (3) | 2.00 (3) | 2.917 (3) | 172 (3) |
N1—H1B···F3ii | 0.87 (3) | 2.32 (3) | 3.056 (5) | 142 (2) |
N1—H1B···F1iii | 0.87 (3) | 2.49 (3) | 3.049 (5) | 123 (2) |
O1W—H1WB···F6iv | 0.85 (2) | 2.21 (4) | 2.91 (2) | 139 (3) |
O1W—H1WB···F4v | 0.85 (2) | 2.57 (4) | 3.04 (3) | 116 (3) |
C7—H7B···Cg1vi | 0.96 | 3.18 | 4.013 (5) | 146 |
Symmetry codes: (i) x, y+1, z; (ii) x, −y+1/2, z−1/2; (iii) x, −y+3/2, z−1/2; (iv) −x+2, −y, −z+1; (v) −x+2, −y+1, −z+1; (vi) −x+1, y+1/2, −z+1/2. |
Experimental details
Crystal data | |
Chemical formula | C7H10NO+·PF6−·H2O |
Mr | 287.15 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 298 |
a, b, c (Å) | 15.152 (3), 5.079 (1), 14.758 (3) |
β (°) | 94.26 (3) |
V (Å3) | 1132.6 (4) |
Z | 4 |
Radiation type | Mo Kα |
µ (mm−1) | 0.32 |
Crystal size (mm) | 0.20 × 0.20 × 0.20 |
Data collection | |
Diffractometer | Rigaku SCXmini diffractometer |
Absorption correction | Multi-scan (CrystalClear; Rigaku, 2005) |
Tmin, Tmax | 0.939, 0.939 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 11166, 2602, 2083 |
Rint | 0.052 |
(sin θ/λ)max (Å−1) | 0.649 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.053, 0.145, 1.06 |
No. of reflections | 2602 |
No. of parameters | 199 |
No. of restraints | 3 |
H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
Δρmax, Δρmin (e Å−3) | 0.45, −0.43 |
Computer programs: CrystalClear (Rigaku, 2005), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008), PRPKAPPA (Ferguson, 1999).
D—H···A | D—H | H···A | D···A | D—H···A |
N1—H1C···O1W | 0.84 (3) | 2.06 (3) | 2.896 (3) | 172 (3) |
N1—H1A···O1Wi | 0.92 (3) | 2.00 (3) | 2.917 (3) | 172 (3) |
N1—H1B···F3ii | 0.87 (3) | 2.32 (3) | 3.056 (5) | 142 (2) |
N1—H1B···F1iii | 0.87 (3) | 2.49 (3) | 3.049 (5) | 123 (2) |
O1W—H1WB···F6iv | 0.853 (17) | 2.21 (4) | 2.91 (2) | 139 (3) |
O1W—H1WB···F4v | 0.853 (17) | 2.57 (4) | 3.04 (3) | 116 (3) |
C7—H7B···Cg1vi | 0.96 | 3.18 | 4.013 (5) | 145.71 |
Symmetry codes: (i) x, y+1, z; (ii) x, −y+1/2, z−1/2; (iii) x, −y+3/2, z−1/2; (iv) −x+2, −y, −z+1; (v) −x+2, −y+1, −z+1; (vi) −x+1, y+1/2, −z+1/2. |
Acknowledgements
The authors are grateful to the Starter Fund of Southeast University for financial support in purchasing the X-ray diffractometer.
References
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As a continuation of our study of dielectric-ferroelectric materials, including organic ligands (Li et al., 2008), metal-organic coordination compounds (Zhang et al., 2009) and organic-inorganic hybrid materials, we studied the dielectric properties of the title compound. Unfortunately, there was no distinct anomaly observed from 93 K to 350 K, suggesting that this compound should be not a real ferroelectric material or there may be no distinct phase transition occurred within the measured temperature range. The crystal structure of 4-methoxyanilinium bromide is known (Fu, 2009). In this article, the crystal structure of the title compound is presented.
The asymmetric unit of the title compound consists of an almost planar 4-methoxyanilinium cation with a mean deviation from the plan of 0.0512 Å, a disordered hexafluorophosphate anion and a water molecule (Fig.1). N—H···F, N—H···O and O—H···F hydrogen bonds link the cations, anions and water molecules to chains along c axis (Fig.2). The C—H···π interactions with a C7···Cg1 distance of 4.013 (5) Å are also observed in the crystal packing.