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In the crystal structure of strychnidine succinate, C21H25N2O+·C4H5O4, strychnidinium bilayers are separated by layers composed of extended carboxylic acid O—H...O hydrogen-bonded chains. The significantly different C—O distances of the carboxyl­ate groups of the succinate anion allow the negatively charged O atoms to be identified.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806001875/lh6569sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806001875/lh6569Isup2.hkl
Contains datablock I

CCDC reference: 298716

Key indicators

  • Single-crystal X-ray study
  • T = 100 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.033
  • wR factor = 0.077
  • Data-to-parameter ratio = 10.3

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.82
Author Response: The high c/a ratio and unfavorable crystal orientation together with small crystal dimensions caused this problem.

Alert level C PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.91 PLAT353_ALERT_3_C Long N-H Bond (0.87A) N19 - H19 ... 1.03 Ang. PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 4 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C21 H25 N2 O PLAT850_ALERT_2_C Check Flack Parameter Exact Value 0.00 and su .. 0.20
Alert level G REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values From the CIF: _diffrn_reflns_theta_max 68.79 From the CIF: _reflns_number_total 3073 From the CIF: _diffrn_reflns_limit_ max hkl 7. 9. 38. From the CIF: _diffrn_reflns_limit_ min hkl -6. -9. -42. TEST1: Expected hkl limits for theta max Calculated maximum hkl 7. 10. 47. Calculated minimum hkl -7. -10. -47. REFLT03_ALERT_4_G WARNING: CuKa measured Friedel data can be used to determine absolute structure in a light-atom study only if the Friedel fraction is large. From the CIF: _diffrn_reflns_theta_max 68.79 From the CIF: _reflns_number_total 3073 Count of symmetry unique reflns 2300 Completeness (_total/calc) 133.61% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 773 Fraction of Friedel pairs measured 0.336 Are heavy atom types Z>Si present no
1 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: CrysAlis CCD (Oxford Diffraction, 2003); cell refinement: CrysAlis RED (Oxford Diffraction, 2003); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP (Bruker, 1999); software used to prepare material for publication: SHELXL97.

strychnidinium hydrogen 1,2-ethanedicarboxylate top
Crystal data top
C21H25N2O+·C4H5O4Dx = 1.379 Mg m3
Mr = 438.51Melting point = 462–467 K
Orthorhombic, P212121Cu Kα radiation, λ = 1.54180 Å
Hall symbol: P 2ac 2abCell parameters from 8322 reflections
a = 6.487 (2) Åθ = 4.5–74.8°
b = 8.314 (2) ŵ = 0.78 mm1
c = 39.165 (6) ÅT = 100 K
V = 2112.3 (9) Å3Plate, colourless
Z = 40.18 × 0.10 × 0.02 mm
F(000) = 936
Data collection top
Xcalibur PX kappa-geometry
diffractometer with CCD Onyx camera
3073 independent reflections
Radiation source: fine-focus sealed tube2730 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.036
ω and φ scansθmax = 68.8°, θmin = 4.5°
Absorption correction: analytical
(CrysAlis RED; Oxford Diffraction, 2003)
h = 67
Tmin = 0.842, Tmax = 0.988k = 99
13198 measured reflectionsl = 4238
Refinement top
Refinement on F2Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: fullH atoms treated by a mixture of independent and constrained refinement
R[F2 > 2σ(F2)] = 0.033 w = 1/[σ2(Fo2) + (0.050P)2]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.077(Δ/σ)max < 0.001
S = 1.00Δρmax = 0.25 e Å3
3073 reflectionsΔρmin = 0.21 e Å3
298 parametersExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraintsExtinction coefficient: 0.0030 (3)
Primary atom site location: structure-invariant direct methodsAbsolute structure: Flack (1983), 1182 Friedels
Secondary atom site location: difference Fourier mapAbsolute structure parameter: 0.0 (2)
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
O10.4509 (2)0.99996 (18)0.41911 (4)0.0301 (4)
C10.1639 (3)0.3936 (3)0.41260 (6)0.0276 (5)
H10.25780.38500.39410.033*
C20.2003 (4)0.3099 (3)0.44331 (5)0.0313 (6)
H20.31880.24360.44560.038*
C30.0626 (3)0.3247 (3)0.47001 (6)0.0281 (6)
H30.08930.26880.49070.034*
C40.1138 (3)0.4188 (2)0.46759 (5)0.0209 (5)
H40.20720.42730.48620.025*
C50.1496 (3)0.5000 (2)0.43720 (5)0.0176 (5)
C60.0095 (3)0.4878 (3)0.40986 (5)0.0187 (5)
C70.0912 (3)0.5874 (3)0.38033 (5)0.0175 (5)
C80.2388 (3)0.7014 (2)0.40006 (5)0.0158 (5)
H80.35570.73570.38510.019*
N90.3142 (2)0.5987 (2)0.42815 (4)0.0167 (4)
C100.4418 (3)0.6816 (3)0.45332 (5)0.0219 (5)
H10A0.46520.60910.47300.026*
H10B0.57760.70590.44300.026*
C110.3448 (4)0.8383 (3)0.46614 (5)0.0257 (5)
H11A0.44730.89770.48000.031*
H11B0.22620.81240.48110.031*
C120.2714 (4)0.9457 (3)0.43693 (5)0.0256 (5)
H120.19631.04050.44650.031*
C130.1249 (3)0.8485 (2)0.41422 (5)0.0198 (5)
H130.01410.80620.42950.024*
C140.0155 (3)0.9364 (3)0.38501 (5)0.0222 (5)
H140.04221.04070.39340.027*
C150.1590 (3)0.8276 (3)0.37260 (5)0.0248 (5)
H15A0.24090.88380.35490.030*
H15B0.25150.80060.39190.030*
C160.0672 (3)0.6763 (3)0.35798 (5)0.0205 (5)
H160.18140.60040.35210.025*
C170.2121 (3)0.4880 (3)0.35370 (5)0.0221 (5)
H17A0.13250.39260.34630.027*
H17B0.34670.45250.36290.027*
C180.2405 (3)0.6068 (3)0.32434 (5)0.0243 (5)
H18A0.24820.54910.30230.029*
H18B0.36870.66970.32740.029*
N190.0540 (2)0.7161 (2)0.32521 (4)0.0204 (4)
H190.024 (3)0.697 (3)0.3028 (6)0.031 (6)*
C200.1055 (3)0.8934 (2)0.32199 (5)0.0221 (5)
H20A0.01530.95120.31260.027*
H20B0.22120.90670.30570.027*
C210.1639 (3)0.9670 (3)0.35575 (5)0.0207 (5)
C220.3398 (3)1.0473 (3)0.35961 (6)0.0263 (5)
H220.42701.06000.34030.032*
C230.4068 (4)1.1187 (3)0.39297 (6)0.0367 (6)
H23A0.29711.19140.40140.044*
H23B0.53191.18440.38910.044*
O1A0.1232 (2)0.69047 (19)0.26306 (4)0.0290 (4)
O2A0.3800 (2)0.8121 (2)0.29060 (4)0.0307 (4)
O3A0.9663 (2)0.7518 (2)0.20343 (4)0.0279 (4)
H3A1.015 (4)0.729 (3)0.2265 (6)0.041 (7)*
O4A0.6893 (2)0.8273 (2)0.17503 (4)0.0326 (4)
C1A0.3070 (3)0.7517 (3)0.26460 (5)0.0232 (5)
C2A0.4307 (3)0.7412 (4)0.23190 (6)0.0360 (7)
H2AA0.41410.63160.22240.043*
H2AB0.37050.81740.21520.043*
C3A0.6510 (3)0.7752 (4)0.23477 (5)0.0402 (7)
H3AA0.71490.68960.24880.048*
H3AB0.66800.87790.24730.048*
C4A0.7675 (3)0.7870 (3)0.20181 (5)0.0233 (5)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
O10.0378 (9)0.0264 (9)0.0260 (8)0.0124 (8)0.0110 (7)0.0061 (8)
C10.0301 (12)0.0298 (13)0.0229 (12)0.0108 (11)0.0053 (11)0.0026 (11)
C20.0341 (12)0.0332 (14)0.0267 (13)0.0160 (12)0.0006 (11)0.0056 (12)
C30.0417 (13)0.0226 (12)0.0201 (12)0.0084 (12)0.0042 (11)0.0064 (11)
C40.0296 (11)0.0169 (11)0.0164 (11)0.0011 (10)0.0005 (10)0.0012 (10)
C50.0192 (10)0.0176 (11)0.0160 (11)0.0006 (10)0.0013 (9)0.0016 (10)
C60.0232 (11)0.0176 (11)0.0155 (11)0.0060 (10)0.0005 (9)0.0014 (10)
C70.0185 (10)0.0188 (11)0.0153 (11)0.0061 (9)0.0018 (9)0.0013 (10)
C80.0161 (10)0.0168 (11)0.0146 (10)0.0006 (9)0.0027 (8)0.0001 (9)
N90.0181 (8)0.0174 (9)0.0146 (9)0.0022 (8)0.0046 (7)0.0015 (8)
C100.0235 (11)0.0265 (12)0.0159 (11)0.0046 (11)0.0067 (9)0.0023 (11)
C110.0364 (12)0.0243 (12)0.0165 (11)0.0051 (11)0.0062 (10)0.0011 (10)
C120.0347 (13)0.0220 (12)0.0203 (12)0.0019 (10)0.0021 (11)0.0039 (10)
C130.0219 (10)0.0200 (12)0.0176 (11)0.0016 (10)0.0028 (10)0.0025 (10)
C140.0235 (11)0.0223 (12)0.0207 (12)0.0058 (10)0.0001 (10)0.0009 (10)
C150.0166 (10)0.0342 (13)0.0235 (12)0.0034 (10)0.0018 (9)0.0084 (11)
C160.0172 (10)0.0270 (12)0.0173 (11)0.0042 (10)0.0043 (9)0.0030 (10)
C170.0326 (12)0.0195 (11)0.0143 (11)0.0003 (11)0.0015 (10)0.0002 (10)
C180.0304 (11)0.0249 (12)0.0176 (11)0.0041 (11)0.0012 (10)0.0000 (10)
N190.0234 (9)0.0221 (11)0.0158 (10)0.0044 (8)0.0040 (8)0.0031 (8)
C200.0264 (11)0.0181 (11)0.0218 (12)0.0041 (10)0.0068 (10)0.0053 (10)
C210.0251 (11)0.0169 (12)0.0201 (12)0.0005 (10)0.0037 (10)0.0035 (9)
C220.0325 (12)0.0218 (13)0.0244 (12)0.0045 (11)0.0053 (11)0.0073 (10)
C230.0554 (16)0.0222 (13)0.0325 (14)0.0158 (13)0.0165 (13)0.0118 (12)
O1A0.0207 (7)0.0440 (10)0.0222 (8)0.0028 (8)0.0047 (7)0.0008 (8)
O2A0.0224 (8)0.0522 (11)0.0173 (8)0.0025 (8)0.0019 (7)0.0043 (8)
O3A0.0195 (8)0.0436 (10)0.0205 (9)0.0005 (7)0.0041 (6)0.0014 (8)
O4A0.0257 (8)0.0514 (11)0.0208 (8)0.0051 (8)0.0014 (7)0.0072 (8)
C1A0.0191 (10)0.0334 (13)0.0172 (12)0.0052 (10)0.0022 (10)0.0039 (11)
C2A0.0222 (11)0.0648 (19)0.0210 (13)0.0056 (12)0.0051 (10)0.0006 (13)
C3A0.0212 (11)0.081 (2)0.0184 (12)0.0003 (13)0.0041 (10)0.0022 (14)
C4A0.0191 (11)0.0310 (13)0.0197 (12)0.0058 (10)0.0028 (10)0.0006 (11)
Geometric parameters (Å, º) top
O1—C121.431 (3)C15—C161.505 (3)
O1—C231.451 (3)C15—H15A0.9900
C1—C61.375 (3)C15—H15B0.9900
C1—C21.410 (3)C16—N191.541 (3)
C1—H10.9500C16—H161.0000
C2—C31.381 (3)C17—C181.527 (3)
C2—H20.9500C17—H17A0.9900
C3—C41.390 (3)C17—H17B0.9900
C3—H30.9500C18—N191.514 (3)
C4—C51.388 (3)C18—H18A0.9900
C4—H40.9500C18—H18B0.9900
C5—N91.393 (3)N19—C201.517 (3)
C5—C61.408 (3)N19—H191.02 (2)
C6—C71.518 (3)C20—C211.505 (3)
C7—C161.539 (3)C20—H20A0.9900
C7—C171.545 (3)C20—H20B0.9900
C7—C81.552 (3)C21—C221.330 (3)
C8—N91.476 (2)C22—C231.499 (3)
C8—C131.533 (3)C22—H220.9500
C8—H81.0000C23—H23A0.9900
N9—C101.460 (2)C23—H23B0.9900
C10—C111.532 (3)O1A—C1A1.298 (2)
C10—H10A0.9900O2A—C1A1.230 (2)
C10—H10B0.9900O3A—C4A1.324 (2)
C11—C121.527 (3)O3A—H3A0.98 (3)
C11—H11A0.9900O4A—C4A1.213 (2)
C11—H11B0.9900C1A—C2A1.513 (3)
C12—C131.532 (3)C2A—C3A1.461 (3)
C12—H121.0000C2A—H2AA0.9900
C13—C141.532 (3)C2A—H2AB0.9900
C13—H131.0000C3A—C4A1.499 (3)
C14—C211.518 (3)C3A—H3AA0.9900
C14—C151.528 (3)C3A—H3AB0.9900
C14—H141.0000
C12—O1—C23113.49 (17)C14—C15—H15A109.9
C6—C1—C2119.0 (2)C16—C15—H15B109.9
C6—C1—H1120.5C14—C15—H15B109.9
C2—C1—H1120.5H15A—C15—H15B108.3
C3—C2—C1119.6 (2)C15—C16—C7116.68 (17)
C3—C2—H2120.2C15—C16—N19109.86 (17)
C1—C2—H2120.2C7—C16—N19103.66 (15)
C2—C3—C4122.1 (2)C15—C16—H16108.8
C2—C3—H3119.0C7—C16—H16108.8
C4—C3—H3119.0N19—C16—H16108.8
C5—C4—C3118.05 (19)C18—C17—C7102.94 (17)
C5—C4—H4121.0C18—C17—H17A111.2
C3—C4—H4121.0C7—C17—H17A111.2
C4—C5—N9129.28 (18)C18—C17—H17B111.2
C4—C5—C6120.60 (18)C7—C17—H17B111.2
N9—C5—C6110.12 (16)H17A—C17—H17B109.1
C1—C6—C5120.66 (19)N19—C18—C17105.96 (16)
C1—C6—C7131.00 (19)N19—C18—H18A110.5
C5—C6—C7108.32 (16)C17—C18—H18A110.5
C6—C7—C16117.53 (16)N19—C18—H18B110.5
C6—C7—C17113.55 (17)C17—C18—H18B110.5
C16—C7—C17102.24 (16)H18A—C18—H18B108.7
C6—C7—C899.74 (15)C18—N19—C20113.94 (16)
C16—C7—C8113.69 (17)C18—N19—C16107.32 (15)
C17—C7—C8110.46 (16)C20—N19—C16112.96 (17)
N9—C8—C13110.57 (15)C18—N19—H19106.5 (13)
N9—C8—C7102.87 (16)C20—N19—H19100.6 (13)
C13—C8—C7111.71 (16)C16—N19—H19115.4 (12)
N9—C8—H8110.5C21—C20—N19112.18 (17)
C13—C8—H8110.5C21—C20—H20A109.2
C7—C8—H8110.5N19—C20—H20A109.2
C5—N9—C10122.75 (16)C21—C20—H20B109.2
C5—N9—C8106.03 (14)N19—C20—H20B109.2
C10—N9—C8114.75 (16)H20A—C20—H20B107.9
N9—C10—C11112.94 (17)C22—C21—C20121.3 (2)
N9—C10—H10A109.0C22—C21—C14122.8 (2)
C11—C10—H10A109.0C20—C21—C14115.80 (18)
N9—C10—H10B109.0C21—C22—C23123.1 (2)
C11—C10—H10B109.0C21—C22—H22118.4
H10A—C10—H10B107.8C23—C22—H22118.4
C12—C11—C10112.31 (17)O1—C23—C22113.74 (18)
C12—C11—H11A109.1O1—C23—H23A108.8
C10—C11—H11A109.1C22—C23—H23A108.8
C12—C11—H11B109.1O1—C23—H23B108.8
C10—C11—H11B109.1C22—C23—H23B108.8
H11A—C11—H11B107.9H23A—C23—H23B107.7
O1—C12—C11107.24 (18)C4A—O3A—H3A113.7 (14)
O1—C12—C13112.82 (17)O2A—C1A—O1A123.51 (19)
C11—C12—C13108.63 (18)O2A—C1A—C2A121.31 (19)
O1—C12—H12109.4O1A—C1A—C2A115.17 (19)
C11—C12—H12109.4C3A—C2A—C1A116.3 (2)
C13—C12—H12109.4C3A—C2A—H2AA108.2
C14—C13—C12117.96 (17)C1A—C2A—H2AA108.2
C14—C13—C8109.50 (16)C3A—C2A—H2AB108.2
C12—C13—C8109.41 (16)C1A—C2A—H2AB108.2
C14—C13—H13106.4H2AA—C2A—H2AB107.4
C12—C13—H13106.4C2A—C3A—C4A116.1 (2)
C8—C13—H13106.4C2A—C3A—H3AA108.3
C21—C14—C15109.20 (17)C4A—C3A—H3AA108.3
C21—C14—C13110.48 (17)C2A—C3A—H3AB108.3
C15—C14—C13107.33 (17)C4A—C3A—H3AB108.3
C21—C14—H14109.9H3AA—C3A—H3AB107.4
C15—C14—H14109.9O4A—C4A—O3A120.68 (19)
C13—C14—H14109.9O4A—C4A—C3A123.50 (19)
C16—C15—C14108.83 (17)O3A—C4A—C3A115.82 (19)
C16—C15—H15A109.9
C6—C1—C2—C30.4 (4)N9—C8—C13—C1259.4 (2)
C1—C2—C3—C40.7 (4)C7—C8—C13—C12173.28 (16)
C2—C3—C4—C50.2 (3)C12—C13—C14—C2175.5 (2)
C3—C4—C5—N9178.9 (2)C8—C13—C14—C2150.5 (2)
C3—C4—C5—C60.5 (3)C12—C13—C14—C15165.57 (18)
C2—C1—C6—C50.4 (3)C8—C13—C14—C1568.5 (2)
C2—C1—C6—C7178.5 (2)C21—C14—C15—C1655.6 (2)
C4—C5—C6—C10.8 (3)C13—C14—C15—C1664.1 (2)
N9—C5—C6—C1178.68 (19)C14—C15—C16—C750.7 (2)
C4—C5—C6—C7179.35 (18)C14—C15—C16—N1966.9 (2)
N9—C5—C6—C70.2 (2)C6—C7—C16—C1576.9 (2)
C1—C6—C7—C1637.4 (3)C17—C7—C16—C15158.07 (17)
C5—C6—C7—C16144.28 (18)C8—C7—C16—C1539.0 (2)
C1—C6—C7—C1781.8 (3)C6—C7—C16—N19162.21 (17)
C5—C6—C7—C1796.5 (2)C17—C7—C16—N1937.18 (19)
C1—C6—C7—C8160.7 (2)C8—C7—C16—N1981.88 (19)
C5—C6—C7—C821.0 (2)C6—C7—C17—C18169.79 (17)
C6—C7—C8—N933.06 (18)C16—C7—C17—C1842.17 (19)
C16—C7—C8—N9159.03 (16)C8—C7—C17—C1879.1 (2)
C17—C7—C8—N986.72 (18)C7—C17—C18—N1930.9 (2)
C6—C7—C8—C1385.55 (18)C17—C18—N19—C20133.60 (18)
C16—C7—C8—C1340.4 (2)C17—C18—N19—C167.8 (2)
C17—C7—C8—C13154.67 (17)C15—C16—N19—C18143.92 (17)
C4—C5—N9—C1023.4 (3)C7—C16—N19—C1818.5 (2)
C6—C5—N9—C10157.09 (19)C15—C16—N19—C2017.5 (2)
C4—C5—N9—C8158.1 (2)C7—C16—N19—C20107.89 (18)
C6—C5—N9—C822.4 (2)C18—N19—C20—C2183.9 (2)
C13—C8—N9—C584.37 (18)C16—N19—C20—C2138.9 (2)
C7—C8—N9—C535.04 (19)N19—C20—C21—C22126.5 (2)
C13—C8—N9—C1054.4 (2)N19—C20—C21—C1450.6 (2)
C7—C8—N9—C10173.83 (16)C15—C14—C21—C22174.5 (2)
C5—N9—C10—C1182.0 (2)C13—C14—C21—C2256.7 (3)
C8—N9—C10—C1149.2 (2)C15—C14—C21—C202.5 (2)
N9—C10—C11—C1249.4 (2)C13—C14—C21—C20120.35 (19)
C23—O1—C12—C11173.21 (16)C20—C21—C22—C23178.3 (2)
C23—O1—C12—C1367.2 (2)C14—C21—C22—C231.4 (3)
C10—C11—C12—O167.5 (2)C12—O1—C23—C2283.4 (2)
C10—C11—C12—C1354.8 (2)C21—C22—C23—O166.0 (3)
O1—C12—C13—C1466.9 (2)O2A—C1A—C2A—C3A12.2 (4)
C11—C12—C13—C14174.36 (18)O1A—C1A—C2A—C3A166.7 (2)
O1—C12—C13—C859.1 (2)C1A—C2A—C3A—C4A171.9 (2)
C11—C12—C13—C859.6 (2)C2A—C3A—C4A—O4A27.4 (4)
N9—C8—C13—C14169.94 (16)C2A—C3A—C4A—O3A153.3 (2)
C7—C8—C13—C1456.0 (2)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N19—H19···O1A1.02 (2)1.69 (2)2.700 (2)170.0 (19)
N19—H19···O2A1.02 (2)2.54 (2)3.225 (2)123.5 (16)
O3A—H3A···O1Ai0.98 (3)1.63 (3)2.598 (2)173 (2)
Symmetry code: (i) x+1, y, z.
 

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