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In the title compound, (R,S)-3-ethyl 5-methyl 2-(2-ammonio­ethoxy­meth­yl)4-(2-chloro­phen­yl)-6-methyl-1,4-dihydro­pyridine-3,5-dicarboxyl­ate methane­sulfonate monohydrate, C20H26ClN2O5+·CH3O3S-·H2O, the cation, anion and water mol­ecule are linked by extensive hydrogen bonding which results in the formation of ribbons in the c direction.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806046265/sj2155sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806046265/sj2155Isup2.hkl
Contains datablock I

CCDC reference: 630472

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.003 Å
  • Disorder in main residue
  • R factor = 0.048
  • wR factor = 0.128
  • Data-to-parameter ratio = 34.0

checkCIF/PLATON results

No syntax errors found



Alert level A REFLT03_ALERT_3_A Reflection count > 15% excess reflns - sys abs data present? From the CIF: _diffrn_reflns_theta_max 26.69 From the CIF: _diffrn_reflns_theta_full 26.69 From the CIF: _reflns_number_total 10949 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 5424 Completeness (_total/calc) 201.86% PLAT021_ALERT_1_A Ratio Unique / Expected Reflections too High ... 2.02
Alert level B PLAT201_ALERT_2_B Isotropic non-H Atoms in Main Residue(s) ....... 1
Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.802 1.000 Tmin(prime) and Tmax expected: 0.857 0.956 RR(prime) = 0.894 Please check that your absorption correction is appropriate. PLAT030_ALERT_1_C _diffrn_reflns_number .LE. _reflns_number_total ? PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.89 PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.96 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C51 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for S PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.11 PLAT301_ALERT_3_C Main Residue Disorder ......................... 7.00 Perc. PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 5 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2 C H3 O3 S
2 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 10 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: APEX2 (Bruker, 2006); cell refinement: CELL-NOW (Sheldrick, 2003); data reduction: APEX2; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2003); software used to prepare material for publication: SHELXTL.

(R,S)-3-ethyl 5-methyl 2-(2-ammonioethoxymethyl)4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine- 3,5-dicarboxylate methanesulfonate hydrate top
Crystal data top
C20H26ClN2O5+·CH3O3S·H2OF(000) = 2208
Mr = 522.99Dx = 1.356 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from 5895 reflections
a = 47.656 (11) Åθ = 2.6–24.6°
b = 11.069 (2) ŵ = 0.28 mm1
c = 9.848 (2) ÅT = 298 K
β = 99.560 (6)°Needle, colorless
V = 5122.3 (19) Å30.54 × 0.21 × 0.16 mm
Z = 8
Data collection top
Bruker APEX-II CCD area-detector
diffractometer
10949 independent reflections
Radiation source: fine-focus sealed tube6706 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.000
φ and ω scansθmax = 26.7°, θmin = 1.7°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 6059
Tmin = 0.802, Tmax = 1.000k = 013
10949 measured reflectionsl = 012
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)] = 0.048Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.128H atoms treated by a mixture of independent and constrained refinement
S = 0.95 w = 1/[σ2(Fo2) + (0.0667P)2]
where P = (Fo2 + 2Fc2)/3
10949 reflections(Δ/σ)max = 0.001
322 parametersΔρmax = 0.28 e Å3
3 restraintsΔρmin = 0.29 e Å3
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*/UeqOcc. (<1)
Cl0.054603 (12)0.42487 (4)0.32454 (6)0.06868 (18)
S0.262469 (13)0.14911 (6)0.22228 (6)0.0740 (2)
C1S0.27896 (7)0.0289 (3)0.2917 (3)0.1284 (12)
H1SA0.27100.04580.26630.193*
H1SB0.27590.03590.39030.193*
H1SC0.29900.03050.25700.193*
O2S0.23257 (4)0.1473 (2)0.28060 (18)0.1179 (7)
O1S0.27671 (4)0.25807 (16)0.25590 (17)0.1001 (6)
O3S0.26638 (3)0.13174 (14)0.07584 (15)0.0808 (5)
O1W0.20290 (3)0.11723 (14)0.03723 (18)0.0715 (4)
H1W20.2094 (5)0.152 (2)0.1001 (19)0.107*
H1W10.2126 (5)0.137 (2)0.0389 (17)0.107*
O20.15442 (3)0.05236 (9)0.03673 (14)0.0533 (4)
O310.09379 (3)0.03223 (11)0.28673 (15)0.0644 (4)
O320.07754 (3)0.14309 (11)0.35473 (14)0.0595 (4)
O510.13789 (4)0.55636 (12)0.0734 (3)0.1273 (9)
O520.10095 (3)0.52961 (10)0.17372 (14)0.0604 (4)
N10.14330 (3)0.17363 (11)0.05256 (15)0.0457 (4)
H1A0.15440.13840.00470.055*
N20.20709 (4)0.13204 (15)0.0187 (2)0.0796 (6)
H2A0.21970.14850.07330.119*
H2B0.21380.15650.06660.119*
H2C0.20400.05280.01860.119*
C20.12799 (3)0.10354 (14)0.12821 (18)0.0387 (4)
C210.13483 (4)0.02988 (14)0.1273 (2)0.0462 (4)
H21A0.14290.05590.21960.055*
H21B0.11750.07550.09780.055*
C220.15965 (4)0.17726 (15)0.0246 (2)0.0574 (5)
H22A0.14200.21870.01140.069*
H22B0.16710.21080.11440.069*
C230.18047 (5)0.19490 (19)0.0692 (2)0.0696 (6)
H23A0.18420.28050.07740.083*
H23B0.17260.16470.16000.083*
C30.10890 (3)0.15357 (13)0.19889 (17)0.0377 (4)
C310.09335 (4)0.07722 (15)0.28141 (19)0.0441 (4)
C32A0.0570 (4)0.0537 (11)0.413 (2)0.0618 (15)0.359 (3)
H32A0.04760.00030.34100.074*0.359 (3)
H32B0.06710.00530.48720.074*0.359 (3)
C33A0.03650 (15)0.1329 (7)0.4621 (8)0.0893 (11)*0.359 (3)
H33A0.02360.08560.50570.134*0.359 (3)
H33B0.02600.17640.38590.134*0.359 (3)
H33C0.04640.18920.52740.134*0.359 (3)
C32B0.0592 (2)0.0898 (5)0.4372 (10)0.0618 (15)0.641 (3)
H32C0.05790.14110.51570.074*0.641 (3)
H32D0.06670.01190.47100.074*0.641 (3)
C33B0.03115 (9)0.0752 (4)0.3522 (5)0.0893 (11)*0.641 (3)
H33D0.01900.03110.40290.134*0.641 (3)
H33E0.03300.03160.26990.134*0.641 (3)
H33F0.02310.15330.32800.134*0.641 (3)
C40.10137 (3)0.28803 (13)0.18543 (18)0.0385 (4)
H4A0.10220.32150.27810.046*
C410.07108 (3)0.30279 (13)0.10794 (18)0.0383 (4)
C420.04916 (4)0.36115 (15)0.1605 (2)0.0484 (5)
C430.02210 (4)0.37047 (18)0.0852 (3)0.0653 (6)
H43A0.00790.41050.12190.078*
C440.01621 (5)0.3205 (2)0.0438 (3)0.0727 (6)
H44A0.00200.32670.09450.087*
C450.03711 (5)0.26137 (17)0.0984 (2)0.0621 (6)
H45A0.03310.22730.18570.075*
C460.06412 (4)0.25317 (14)0.0218 (2)0.0474 (5)
H46A0.07810.21260.05920.057*
C50.12288 (3)0.35592 (14)0.11441 (19)0.0420 (4)
C510.12205 (4)0.48857 (16)0.1153 (2)0.0557 (5)
C520.09665 (5)0.65791 (16)0.1763 (2)0.0702 (6)
H52A0.07990.67500.21500.105*
H52B0.09440.68910.08420.105*
H52C0.11280.69530.23150.105*
C60.14174 (4)0.29802 (14)0.04932 (19)0.0436 (4)
C610.16244 (4)0.35578 (17)0.0309 (2)0.0652 (6)
H61A0.15410.42720.07590.098*
H61B0.16700.29990.09870.098*
H61C0.17950.37710.03070.098*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cl0.0802 (4)0.0584 (3)0.0771 (4)0.0069 (2)0.0413 (3)0.0126 (3)
S0.0749 (4)0.0932 (4)0.0597 (4)0.0294 (3)0.0281 (3)0.0150 (3)
C1S0.142 (3)0.123 (3)0.138 (3)0.042 (2)0.076 (2)0.067 (2)
O2S0.0772 (14)0.205 (2)0.0718 (13)0.0308 (12)0.0138 (10)0.0125 (13)
O1S0.1232 (15)0.1071 (14)0.0765 (12)0.0411 (11)0.0356 (10)0.0085 (10)
O3S0.0986 (13)0.0925 (11)0.0569 (10)0.0276 (8)0.0293 (9)0.0058 (9)
O1W0.0663 (11)0.0773 (10)0.0745 (11)0.0013 (7)0.0224 (9)0.0117 (9)
O20.0550 (8)0.0347 (6)0.0780 (10)0.0067 (5)0.0336 (7)0.0043 (6)
O310.0809 (10)0.0390 (7)0.0828 (10)0.0014 (6)0.0416 (8)0.0126 (7)
O320.0690 (9)0.0492 (7)0.0709 (10)0.0082 (6)0.0423 (8)0.0136 (7)
O510.1319 (16)0.0366 (8)0.248 (3)0.0116 (8)0.1328 (17)0.0016 (11)
O520.0755 (9)0.0323 (7)0.0826 (10)0.0002 (6)0.0400 (8)0.0025 (6)
N10.0503 (9)0.0337 (7)0.0592 (10)0.0005 (6)0.0277 (8)0.0013 (7)
N20.0659 (13)0.0701 (12)0.1148 (17)0.0251 (9)0.0496 (12)0.0265 (11)
C20.0408 (10)0.0321 (9)0.0443 (11)0.0001 (7)0.0101 (8)0.0039 (7)
C210.0469 (10)0.0365 (9)0.0595 (13)0.0043 (7)0.0215 (9)0.0045 (9)
C220.0540 (12)0.0389 (10)0.0822 (16)0.0073 (8)0.0204 (11)0.0022 (10)
C230.0788 (17)0.0596 (13)0.0736 (16)0.0244 (11)0.0224 (13)0.0010 (11)
C30.0387 (10)0.0324 (9)0.0434 (10)0.0003 (7)0.0111 (8)0.0024 (8)
C310.0449 (11)0.0378 (10)0.0515 (12)0.0027 (8)0.0138 (9)0.0040 (8)
C32A0.073 (2)0.036 (4)0.089 (4)0.002 (3)0.049 (3)0.006 (3)
C32B0.073 (2)0.036 (4)0.089 (4)0.002 (3)0.049 (3)0.006 (3)
C40.0437 (10)0.0314 (8)0.0433 (10)0.0003 (7)0.0160 (8)0.0004 (7)
C410.0428 (10)0.0275 (8)0.0471 (11)0.0003 (7)0.0147 (8)0.0049 (7)
C420.0502 (12)0.0377 (10)0.0619 (13)0.0038 (8)0.0230 (10)0.0037 (9)
C430.0480 (13)0.0582 (13)0.0929 (18)0.0127 (9)0.0210 (13)0.0146 (13)
C440.0485 (13)0.0734 (15)0.092 (2)0.0020 (11)0.0000 (13)0.0165 (14)
C450.0685 (16)0.0540 (12)0.0600 (14)0.0048 (10)0.0006 (12)0.0077 (10)
C460.0523 (12)0.0376 (9)0.0541 (12)0.0019 (8)0.0140 (10)0.0059 (9)
C50.0419 (10)0.0327 (9)0.0534 (11)0.0023 (7)0.0143 (9)0.0015 (8)
C510.0567 (12)0.0339 (10)0.0822 (16)0.0046 (9)0.0278 (11)0.0018 (10)
C520.0888 (17)0.0360 (10)0.0910 (17)0.0084 (10)0.0299 (13)0.0057 (11)
C60.0435 (10)0.0351 (9)0.0540 (12)0.0045 (7)0.0134 (9)0.0017 (8)
C610.0649 (14)0.0492 (11)0.0916 (17)0.0041 (9)0.0428 (12)0.0087 (11)
Geometric parameters (Å, º) top
Cl—C421.743 (2)C3—C41.532 (2)
S—O3S1.4359 (16)C32A—C33A1.454 (16)
S—O2S1.4452 (18)C32A—H32A0.9700
S—O1S1.4489 (16)C32A—H32B0.9700
S—C1S1.742 (3)C33A—H33A0.9600
C1S—H1SA0.9600C33A—H33B0.9600
C1S—H1SB0.9600C33A—H33C0.9600
C1S—H1SC0.9600C32B—C33B1.466 (11)
O1W—H1W20.830 (15)C32B—H32C0.9700
O1W—H1W10.842 (15)C32B—H32D0.9700
O2—C221.413 (2)C33B—H33D0.9600
O2—C211.4163 (19)C33B—H33E0.9600
O31—C311.2126 (19)C33B—H33F0.9600
O32—C311.342 (2)C4—C411.525 (2)
O32—C32B1.415 (9)C4—C51.531 (2)
O32—C32A1.567 (17)C4—H4A0.9800
O51—C511.186 (2)C41—C461.379 (2)
O52—C511.319 (2)C41—C421.398 (2)
O52—C521.436 (2)C42—C431.381 (3)
N1—C21.367 (2)C43—C441.371 (3)
N1—C61.379 (2)C43—H43A0.9300
N1—H1A0.8600C44—C451.374 (3)
N2—C231.460 (3)C44—H44A0.9300
N2—H2A0.8900C45—C461.383 (3)
N2—H2B0.8900C45—H45A0.9300
N2—H2C0.8900C46—H46A0.9300
C2—C31.352 (2)C5—C61.349 (2)
C2—C211.513 (2)C5—C511.469 (2)
C21—H21A0.9700C52—H52A0.9600
C21—H21B0.9700C52—H52B0.9600
C22—C231.477 (3)C52—H52C0.9600
C22—H22A0.9700C6—C611.505 (2)
C22—H22B0.9700C61—H61A0.9600
C23—H23A0.9700C61—H61B0.9600
C23—H23B0.9700C61—H61C0.9600
C3—C311.457 (2)
O3S—S—O2S110.63 (10)H32A—C32A—H32B109.0
O3S—S—O1S110.68 (10)O32—C32B—C33B108.0 (7)
O2S—S—O1S112.89 (13)O32—C32B—H32C110.1
O3S—S—C1S107.48 (15)C33B—C32B—H32C110.1
O2S—S—C1S108.22 (14)O32—C32B—H32D110.1
O1S—S—C1S106.68 (13)C33B—C32B—H32D110.1
S—C1S—H1SA109.5H32C—C32B—H32D108.4
S—C1S—H1SB109.5C32B—C33B—H33D109.5
H1SA—C1S—H1SB109.5C32B—C33B—H33E109.5
S—C1S—H1SC109.5H33D—C33B—H33E109.5
H1SA—C1S—H1SC109.5C32B—C33B—H33F109.5
H1SB—C1S—H1SC109.5H33D—C33B—H33F109.5
H1W2—O1W—H1W1109 (2)H33E—C33B—H33F109.5
C22—O2—C21111.66 (12)C41—C4—C5111.65 (14)
C31—O32—C32B122.5 (2)C41—C4—C3109.64 (12)
C31—O32—C32A107.1 (5)C5—C4—C3110.57 (13)
C51—O52—C52118.02 (14)C41—C4—H4A108.3
C2—N1—C6123.19 (14)C5—C4—H4A108.3
C2—N1—H1A118.4C3—C4—H4A108.3
C6—N1—H1A118.4C46—C41—C42116.55 (16)
C23—N2—H2A109.5C46—C41—C4118.85 (14)
C23—N2—H2B109.5C42—C41—C4124.57 (17)
H2A—N2—H2B109.5C43—C42—C41121.66 (19)
C23—N2—H2C109.5C43—C42—Cl116.69 (15)
H2A—N2—H2C109.5C41—C42—Cl121.65 (15)
H2B—N2—H2C109.5C44—C43—C42119.75 (19)
C3—C2—N1120.89 (14)C44—C43—H43A120.1
C3—C2—C21124.53 (14)C42—C43—H43A120.1
N1—C2—C21114.56 (14)C43—C44—C45120.3 (2)
O2—C21—C2109.90 (13)C43—C44—H44A119.8
O2—C21—H21A109.7C45—C44—H44A119.8
C2—C21—H21A109.7C44—C45—C46119.2 (2)
O2—C21—H21B109.7C44—C45—H45A120.4
C2—C21—H21B109.7C46—C45—H45A120.4
H21A—C21—H21B108.2C41—C46—C45122.54 (17)
O2—C22—C23109.18 (16)C41—C46—H46A118.7
O2—C22—H22A109.8C45—C46—H46A118.7
C23—C22—H22A109.8C6—C5—C51119.89 (15)
O2—C22—H22B109.8C6—C5—C4122.23 (14)
C23—C22—H22B109.8C51—C5—C4117.85 (14)
H22A—C22—H22B108.3O51—C51—O52120.59 (17)
N2—C23—C22111.09 (19)O51—C51—C5127.67 (18)
N2—C23—H23A109.4O52—C51—C5111.72 (14)
C22—C23—H23A109.4O52—C52—H52A109.5
N2—C23—H23B109.4O52—C52—H52B109.5
C22—C23—H23B109.4H52A—C52—H52B109.5
H23A—C23—H23B108.0O52—C52—H52C109.5
C2—C3—C31119.82 (14)H52A—C52—H52C109.5
C2—C3—C4121.43 (14)H52B—C52—H52C109.5
C31—C3—C4118.56 (14)C5—C6—N1120.07 (15)
O31—C31—O32121.78 (15)C5—C6—C61126.44 (15)
O31—C31—C3126.64 (16)N1—C6—C61113.49 (14)
O32—C31—C3111.59 (14)C6—C61—H61A109.5
C33A—C32A—O32103.7 (8)C6—C61—H61B109.5
C33A—C32A—H32A111.0H61A—C61—H61B109.5
O32—C32A—H32A111.0C6—C61—H61C109.5
C33A—C32A—H32B111.0H61A—C61—H61C109.5
O32—C32A—H32B111.0H61B—C61—H61C109.5
C6—N1—C2—C33.9 (3)C5—C4—C41—C42115.62 (17)
C6—N1—C2—C21174.77 (15)C3—C4—C41—C42121.49 (16)
C22—O2—C21—C2175.32 (15)C46—C41—C42—C431.1 (2)
C3—C2—C21—O2176.55 (17)C4—C41—C42—C43179.42 (16)
N1—C2—C21—O24.8 (2)C46—C41—C42—Cl178.43 (12)
C21—O2—C22—C23179.18 (18)C4—C41—C42—Cl0.1 (2)
O2—C22—C23—N258.7 (2)C41—C42—C43—C440.7 (3)
N1—C2—C3—C31178.53 (16)Cl—C42—C43—C44178.90 (16)
C21—C2—C3—C310.0 (3)C42—C43—C44—C450.0 (3)
N1—C2—C3—C46.5 (3)C43—C44—C45—C460.2 (3)
C21—C2—C3—C4174.98 (15)C42—C41—C46—C451.0 (2)
C32B—O32—C31—O313.4 (6)C4—C41—C46—C45179.35 (15)
C32A—O32—C31—O3112.0 (9)C44—C45—C46—C410.3 (3)
C32B—O32—C31—C3176.4 (5)C41—C4—C5—C6109.78 (19)
C32A—O32—C31—C3167.8 (9)C3—C4—C5—C612.6 (2)
C2—C3—C31—O316.4 (3)C41—C4—C5—C5168.5 (2)
C4—C3—C31—O31168.79 (18)C3—C4—C5—C51169.11 (15)
C2—C3—C31—O32173.84 (17)C52—O52—C51—O514.2 (3)
C4—C3—C31—O3211.0 (2)C52—O52—C51—C5177.16 (16)
C31—O32—C32A—C33A167.2 (9)C6—C5—C51—O516.6 (3)
C32B—O32—C32A—C33A38 (3)C4—C5—C51—O51175.1 (2)
C31—O32—C32B—C33B90.5 (6)C6—C5—C51—O52174.95 (18)
C32A—O32—C32B—C33B62 (4)C4—C5—C51—O523.4 (2)
C2—C3—C4—C41109.83 (18)C51—C5—C6—N1177.62 (16)
C31—C3—C4—C4165.2 (2)C4—C5—C6—N14.1 (3)
C2—C3—C4—C513.7 (2)C51—C5—C6—C612.4 (3)
C31—C3—C4—C5171.23 (16)C4—C5—C6—C61175.90 (19)
C5—C4—C41—C4666.13 (18)C2—N1—C6—C55.2 (3)
C3—C4—C41—C4656.76 (19)C2—N1—C6—C61174.84 (17)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1W—H1W2···O1Si0.83 (2)1.94 (2)2.767 (2)176 (3)
O1W—H1W1···O2Sii0.84 (2)1.88 (2)2.704 (3)168 (2)
N1—H1A···O20.862.142.5670 (17)111
N1—H1A···O1W0.862.423.174 (2)146
N2—H2A···O2S0.892.233.032 (3)150
N2—H2A···O3S0.892.242.971 (2)140
N2—H2A···S0.892.703.5744 (18)167
N2—H2B···O1Siii0.892.072.949 (3)168
N2—H2B···O3Siii0.892.522.985 (2)113
N2—H2B···Siii0.892.773.5299 (19)144
N2—H2C···O1W0.891.892.770 (2)169
Symmetry codes: (i) x+1/2, y+1/2, z1/2; (ii) x, y, z+1/2; (iii) x+1/2, y1/2, z.
 

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