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The coordination polyhedron of the Cd2+ ion in the title compound is a CdN2O5 penta­gonal bipyramid formed by two bidentately coordinated carb­oxy­lic groups of different anions, one water mol­ecule and two pyridine mol­ecules. In the crystal, polymeric chains propagate along the [1\overline{1}1] direction; the chains are linked by hydrogen bonds and π–π stacking inter­actions into a three-dimensional network.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2056989024000185/hb8090sup1.cif
Contains datablock I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2056989024000185/hb8090Isup2.hkl
Contains datablock I

CCDC reference: 2321203

Computing details top

catena-Poly[[[aquabis(pyridine-κN)cadmium(II)]-µ2-4,4'-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ4O,O':O'',O'''] 4.5-hydrate] top
Crystal data top
[Cd(C16H9N3O4)(C5H5N)2(H2O)]·4.5H2OZ = 2
Mr = 676.95F(000) = 690
Triclinic, P1Dx = 1.544 Mg m3
a = 8.1674 (5) ÅMo Kα radiation, λ = 0.71073 Å
b = 12.3033 (6) ÅCell parameters from 4044 reflections
c = 15.4877 (8) Åθ = 1.8–26.4°
α = 75.226 (5)°µ = 0.81 mm1
β = 86.412 (4)°T = 293 K
γ = 75.346 (5)°Prism, clear light colourless
V = 1455.89 (14) Å30.45 × 0.03 × 0.03 mm
Data collection top
Rigaku Xcalibur Eos
diffractometer
5963 independent reflections
Radiation source: fine-focus sealed X-ray tube, Enhance (Mo) X-ray Source4538 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.047
Detector resolution: 16.1593 pixels mm-1θmax = 26.4°, θmin = 1.9°
ω scansh = 1010
Absorption correction: multi-scan
(CrysAlisPro; Rigaku OD, 2022)
k = 1515
Tmin = 0.850, Tmax = 1.000l = 1919
14750 measured reflections
Refinement top
Refinement on F2Primary atom site location: dual
Least-squares matrix: fullHydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.052H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.099 w = 1/[σ2(Fo2) + (0.0366P)2 + 0.076P]
where P = (Fo2 + 2Fc2)/3
S = 1.02(Δ/σ)max < 0.001
5963 reflectionsΔρmax = 0.80 e Å3
378 parametersΔρmin = 0.70 e Å3
6 restraints
Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Cd10.64074 (4)0.33051 (3)0.91578 (2)0.03626 (11)
O1W0.4111 (5)0.3603 (4)1.0083 (2)0.1047 (16)
H1WA0.3130540.3493931.0140890.157*
H1WB0.4198940.3827931.0554790.157*
O20.4683 (4)0.4504 (2)0.77939 (17)0.0454 (7)
O2W0.5031 (4)0.3838 (2)0.62018 (18)0.0518 (8)
H2WA0.5200040.3104060.6339380.078*
H2WB0.4839540.4024460.6696980.078*
O10.5848 (4)0.5341 (2)0.85969 (17)0.0465 (8)
O4A0.1584 (8)1.1735 (5)0.0270 (4)0.0499 (11)*0.5
O4B0.2360 (7)1.2083 (5)0.0386 (4)0.0499 (11)*0.5
O3W0.2593 (4)0.5195 (3)0.49121 (19)0.0542 (8)
H3WA0.3262070.4798560.5340580.081*
H3WB0.3207870.5539560.4531680.081*
O3B0.1896 (12)1.3767 (5)0.0317 (5)0.0563 (12)*0.5
O3A0.1638 (12)1.3622 (4)0.0171 (5)0.0563 (12)*0.5
O4W0.4914 (4)0.8427 (3)0.3594 (2)0.0652 (9)
H4WA0.5748230.8583160.3795840.098*
H4WB0.4054630.8771860.3844140.098*
O5W0.0700 (4)1.3812 (2)0.44619 (18)0.0569 (9)
H5WA0.0079801.4089090.4729570.085*
H5WB0.1413501.4181590.4529070.085*
O6WB0.107 (2)0.4481 (17)0.9711 (12)0.060 (6)*0.25
H6WA0.1133380.5162030.9705060.091*0.25
H6WB0.0102580.4391130.9899160.091*0.25
O6WA0.139 (2)0.4433 (15)0.9539 (11)0.043 (5)*0.25
H6WC0.0955540.5145060.9531840.064*0.25
H6WD0.0696340.4082560.9858540.064*0.25
N10.5552 (5)0.1728 (3)0.8928 (2)0.0443 (9)
N20.8545 (4)0.3186 (3)0.8082 (2)0.0412 (8)
N30.1923 (5)1.1490 (3)0.4659 (2)0.0424 (9)
H30.157 (6)1.221 (4)0.458 (3)0.074 (18)*
N40.2590 (4)1.0777 (3)0.5443 (2)0.0417 (9)
N50.2250 (4)0.9751 (3)0.4486 (2)0.0379 (8)
C10.3958 (7)0.1841 (4)0.8749 (3)0.0740 (17)
H10.3225410.2573940.8663490.089*
C20.3310 (9)0.0941 (6)0.8679 (4)0.093 (2)
H20.2162050.1057680.8574080.111*
C30.4382 (9)0.0124 (5)0.8767 (3)0.0694 (17)
H3A0.3983360.0746800.8709630.083*
C40.6026 (8)0.0266 (4)0.8939 (3)0.0706 (16)
H40.6784690.0986510.8997980.085*
C50.6579 (7)0.0691 (4)0.9029 (3)0.0602 (14)
H50.7710080.0588240.9163370.072*
C60.8673 (6)0.2579 (4)0.7471 (3)0.0479 (11)
H60.7925230.2112980.7500250.057*
C70.9838 (7)0.2607 (4)0.6807 (3)0.0602 (14)
H70.9873190.2172550.6391870.072*
C81.0954 (6)0.3276 (4)0.6753 (3)0.0627 (14)
H81.1773910.3297920.6308440.075*
C91.0841 (6)0.3916 (4)0.7371 (3)0.0605 (13)
H91.1572650.4391780.7348780.073*
C100.9630 (6)0.3840 (4)0.8021 (3)0.0532 (12)
H100.9566210.4270680.8441500.064*
C110.5034 (5)0.5385 (4)0.7923 (2)0.0368 (10)
C120.4477 (5)0.6532 (3)0.7247 (2)0.0336 (9)
C130.3618 (6)0.6598 (4)0.6490 (3)0.0480 (12)
H130.3382970.5931760.6403210.058*
C140.3102 (6)0.7635 (4)0.5858 (3)0.0471 (11)
H140.2542920.7655960.5346470.057*
C150.3407 (5)0.8642 (3)0.5976 (2)0.0368 (10)
C160.4270 (6)0.8581 (4)0.6736 (3)0.0445 (11)
H160.4498590.9246320.6826960.053*
C170.4793 (5)0.7534 (4)0.7362 (3)0.0417 (10)
H170.5369320.7506810.7869190.050*
C180.2774 (5)0.9730 (3)0.5311 (2)0.0360 (10)
C190.1713 (5)1.0868 (3)0.4092 (2)0.0346 (9)
C200.0987 (5)1.1348 (3)0.3197 (2)0.0344 (9)
C210.0451 (6)1.0618 (4)0.2790 (3)0.0478 (11)
H210.0602490.9838340.3080290.057*
C220.0295 (6)1.1028 (4)0.1969 (3)0.0541 (13)
H220.0642271.0520540.1708320.065*
C230.0546 (5)1.2180 (4)0.1514 (3)0.0436 (11)
C240.0025 (6)1.2910 (4)0.1910 (3)0.0508 (12)
H240.0107261.3686360.1614990.061*
C250.0788 (6)1.2489 (4)0.2741 (3)0.0519 (12)
H250.1172811.2985810.2995910.062*
C260.1447 (6)1.2612 (3)0.0646 (3)0.0610 (14)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.0489 (2)0.03543 (19)0.02777 (17)0.01675 (15)0.00309 (13)0.00652 (12)
O1W0.113 (3)0.178 (4)0.091 (3)0.104 (3)0.064 (2)0.102 (3)
O20.062 (2)0.0361 (17)0.0383 (16)0.0176 (15)0.0097 (14)0.0012 (13)
O2W0.063 (2)0.0454 (19)0.0480 (18)0.0131 (16)0.0013 (16)0.0126 (15)
O10.065 (2)0.0382 (17)0.0318 (15)0.0016 (15)0.0174 (15)0.0081 (13)
O3W0.046 (2)0.061 (2)0.0555 (19)0.0169 (16)0.0044 (15)0.0104 (16)
O4W0.075 (2)0.048 (2)0.075 (2)0.0079 (18)0.0133 (19)0.0310 (18)
O5W0.072 (2)0.0369 (19)0.063 (2)0.0028 (16)0.0130 (17)0.0209 (16)
N10.064 (3)0.037 (2)0.0347 (19)0.023 (2)0.0113 (18)0.0010 (16)
N20.046 (2)0.039 (2)0.039 (2)0.0142 (18)0.0006 (17)0.0057 (17)
N30.060 (3)0.025 (2)0.034 (2)0.0077 (19)0.0170 (17)0.0070 (16)
N40.055 (2)0.033 (2)0.0308 (18)0.0037 (18)0.0132 (16)0.0083 (15)
N50.045 (2)0.032 (2)0.0330 (19)0.0008 (16)0.0100 (16)0.0099 (16)
C10.080 (4)0.045 (3)0.093 (4)0.021 (3)0.051 (3)0.006 (3)
C20.102 (5)0.077 (5)0.107 (5)0.045 (4)0.057 (4)0.001 (4)
C30.113 (5)0.063 (4)0.050 (3)0.051 (4)0.000 (3)0.016 (3)
C40.098 (5)0.046 (3)0.076 (4)0.029 (3)0.033 (3)0.024 (3)
C50.068 (4)0.052 (3)0.069 (3)0.028 (3)0.021 (3)0.022 (3)
C60.060 (3)0.048 (3)0.041 (3)0.023 (2)0.007 (2)0.011 (2)
C70.074 (4)0.058 (3)0.049 (3)0.019 (3)0.014 (3)0.015 (2)
C80.056 (3)0.065 (4)0.050 (3)0.007 (3)0.010 (3)0.006 (3)
C90.044 (3)0.067 (4)0.067 (3)0.027 (3)0.002 (3)0.003 (3)
C100.055 (3)0.056 (3)0.053 (3)0.023 (3)0.004 (2)0.011 (2)
C110.036 (2)0.041 (3)0.030 (2)0.003 (2)0.0027 (18)0.0099 (19)
C120.032 (2)0.036 (2)0.031 (2)0.0028 (19)0.0030 (17)0.0096 (18)
C130.067 (3)0.037 (3)0.042 (3)0.010 (2)0.018 (2)0.013 (2)
C140.061 (3)0.041 (3)0.038 (2)0.008 (2)0.025 (2)0.005 (2)
C150.041 (3)0.031 (2)0.033 (2)0.0023 (19)0.0064 (18)0.0067 (18)
C160.058 (3)0.035 (3)0.042 (2)0.006 (2)0.013 (2)0.013 (2)
C170.050 (3)0.039 (3)0.035 (2)0.005 (2)0.014 (2)0.011 (2)
C180.039 (2)0.033 (2)0.031 (2)0.0001 (19)0.0046 (18)0.0079 (18)
C190.037 (2)0.035 (2)0.030 (2)0.0023 (19)0.0053 (18)0.0101 (18)
C200.037 (2)0.038 (3)0.026 (2)0.0028 (19)0.0077 (17)0.0077 (18)
C210.058 (3)0.048 (3)0.043 (3)0.020 (2)0.009 (2)0.010 (2)
C220.069 (3)0.066 (3)0.037 (3)0.037 (3)0.017 (2)0.009 (2)
C230.043 (3)0.062 (3)0.029 (2)0.024 (2)0.0029 (19)0.005 (2)
C240.067 (3)0.043 (3)0.036 (2)0.008 (2)0.019 (2)0.003 (2)
C250.075 (4)0.042 (3)0.039 (3)0.011 (3)0.023 (2)0.008 (2)
C260.056 (3)0.099 (4)0.042 (3)0.051 (3)0.002 (2)0.011 (3)
Geometric parameters (Å, º) top
Cd1—O1W2.300 (3)C2—H20.9300
Cd1—O22.521 (3)C2—C31.359 (8)
Cd1—O12.366 (3)C3—H3A0.9300
Cd1—O4Ai2.538 (6)C3—C41.345 (7)
Cd1—O4Bi2.216 (6)C4—H40.9300
Cd1—O3Bi2.588 (10)C4—C51.403 (6)
Cd1—O3Ai2.471 (10)C5—H50.9300
Cd1—N12.334 (3)C6—H60.9300
Cd1—N22.340 (3)C6—C71.356 (6)
O1W—H1WA0.8401C7—H70.9300
O1W—H1WB0.8579C7—C81.360 (6)
O2—C111.254 (4)C8—H80.9300
O2W—H2WA0.8498C8—C91.372 (6)
O2W—H2WB0.8496C9—H90.9300
O1—C111.255 (4)C9—C101.369 (6)
O4A—C261.379 (5)C10—H100.9300
O4B—C261.2476 (10)C11—C121.509 (5)
O3W—H3WA0.8498C12—C131.378 (5)
O3W—H3WB0.8500C12—C171.377 (5)
O3B—C261.343 (6)C13—H130.9300
O3A—C261.2485 (10)C13—C141.381 (5)
O4W—H4WA0.8500C14—H140.9300
O4W—H4WB0.8501C14—C151.381 (5)
O5W—H5WA0.7895C15—C161.386 (5)
O5W—H5WB0.8503C15—C181.461 (5)
O6WB—H6WA0.8499C16—H160.9300
O6WB—H6WB0.8497C16—C171.384 (5)
O6WA—H6WC0.8547C17—H170.9300
O6WA—H6WD0.8535C19—C201.459 (5)
N1—C11.314 (6)C20—C211.385 (5)
N1—C51.315 (6)C20—C251.374 (5)
N2—C61.332 (5)C21—H210.9300
N2—C101.324 (5)C21—C221.363 (5)
N3—H30.83 (5)C22—H220.9300
N3—N41.355 (4)C22—C231.382 (6)
N3—C191.347 (5)C23—C241.389 (5)
N4—C181.325 (5)C23—C261.481 (5)
N5—C181.364 (4)C24—H240.9300
N5—C191.324 (5)C24—C251.382 (5)
C1—H10.9300C25—H250.9300
C1—C21.372 (6)
O1W—Cd1—O292.10 (13)C5—C4—H4120.6
O1W—Cd1—O187.97 (13)N1—C5—C4122.3 (5)
O1W—Cd1—O4Ai98.35 (18)N1—C5—H5118.9
O1W—Cd1—O3Bi86.8 (2)C4—C5—H5118.9
O1W—Cd1—O3Ai93.9 (2)N2—C6—H6118.3
O1W—Cd1—N188.03 (12)N2—C6—C7123.4 (4)
O1W—Cd1—N2172.97 (14)C7—C6—H6118.3
O2—Cd1—O4Ai164.94 (13)C6—C7—H7120.3
O2—Cd1—O3Bi134.39 (13)C6—C7—C8119.5 (4)
O1—Cd1—O253.22 (8)C8—C7—H7120.3
O1—Cd1—O4Ai137.54 (13)C7—C8—H8120.8
O1—Cd1—O3Bi81.19 (13)C7—C8—C9118.3 (4)
O1—Cd1—O3Ai83.77 (11)C9—C8—H8120.8
O4Bi—Cd1—O1W83.36 (19)C8—C9—H9120.7
O4Bi—Cd1—O2171.16 (12)C10—C9—C8118.7 (4)
O4Bi—Cd1—O1133.80 (12)C10—C9—H9120.7
O4Bi—Cd1—O4Ai15.3 (2)N2—C10—C9123.4 (4)
O4Bi—Cd1—O3Bi53.15 (14)N2—C10—H10118.3
O4Bi—Cd1—O3Ai51.93 (13)C9—C10—H10118.3
O4Bi—Cd1—N185.58 (13)O2—C11—O1121.9 (4)
O4Bi—Cd1—N2103.63 (18)O2—C11—C12119.3 (3)
O3Ai—Cd1—O2136.29 (11)O1—C11—C12118.8 (3)
N1—Cd1—O286.69 (10)C13—C12—C11119.9 (3)
N1—Cd1—O1139.50 (11)C17—C12—C11121.9 (3)
N1—Cd1—O4Ai82.87 (14)C17—C12—C13118.2 (4)
N1—Cd1—O3Bi138.73 (14)C12—C13—H13119.4
N1—Cd1—O3Ai136.72 (13)C12—C13—C14121.1 (4)
N1—Cd1—N293.18 (12)C14—C13—H13119.4
N2—Cd1—O281.06 (10)C13—C14—H14119.6
N2—Cd1—O186.61 (11)C13—C14—C15120.7 (4)
N2—Cd1—O4Ai88.68 (16)C15—C14—H14119.6
N2—Cd1—O3Bi96.7 (2)C14—C15—C16118.4 (4)
N2—Cd1—O3Ai89.9 (2)C14—C15—C18119.0 (3)
Cd1—O1W—H1WA138.5C16—C15—C18122.7 (4)
Cd1—O1W—H1WB119.7C15—C16—H16119.8
H1WA—O1W—H1WB101.4C17—C16—C15120.4 (4)
C11—O2—Cd188.7 (2)C17—C16—H16119.8
H2WA—O2W—H2WB104.5C12—C17—C16121.2 (4)
C11—O1—Cd195.9 (2)C12—C17—H17119.4
C26—O4A—Cd1ii86.0 (3)C16—C17—H17119.4
C26—O4B—Cd1ii104.5 (4)N4—C18—N5113.3 (3)
H3WA—O3W—H3WB104.5N4—C18—C15124.8 (3)
C26—O3B—Cd1ii84.7 (4)N5—C18—C15121.8 (3)
C26—O3A—Cd1ii91.8 (5)N3—C19—C20125.6 (4)
H4WA—O4W—H4WB104.5N5—C19—N3108.8 (3)
H5WA—O5W—H5WB101.0N5—C19—C20125.7 (3)
H6WA—O6WB—H6WB109.5C21—C20—C19118.3 (4)
H6WC—O6WA—H6WD103.5C25—C20—C19123.5 (3)
C1—N1—Cd1119.7 (3)C25—C20—C21118.2 (4)
C1—N1—C5117.4 (4)C20—C21—H21119.6
C5—N1—Cd1122.8 (3)C22—C21—C20120.9 (4)
C6—N2—Cd1124.7 (3)C22—C21—H21119.6
C10—N2—Cd1118.3 (3)C21—C22—H22119.3
C10—N2—C6116.8 (4)C21—C22—C23121.5 (4)
N4—N3—H3123 (3)C23—C22—H22119.3
C19—N3—H3126 (3)C22—C23—C24117.9 (4)
C19—N3—N4110.5 (3)C22—C23—C26120.1 (3)
C18—N4—N3103.0 (3)C24—C23—C26122.0 (4)
C19—N5—C18104.4 (3)C23—C24—H24119.8
N1—C1—H1118.1C25—C24—C23120.4 (4)
N1—C1—C2123.9 (5)C25—C24—H24119.8
C2—C1—H1118.1C20—C25—C24121.1 (4)
C1—C2—H2120.7C20—C25—H25119.4
C3—C2—C1118.5 (6)C24—C25—H25119.4
C3—C2—H2120.7O4A—C26—C23113.2 (4)
C2—C3—H3A120.5O4B—C26—O3B114.1 (6)
C4—C3—C2119.1 (5)O4B—C26—C23123.3 (4)
C4—C3—H3A120.5O3B—C26—C23116.7 (5)
C3—C4—H4120.6O3A—C26—O4A119.9 (6)
C3—C4—C5118.8 (5)O3A—C26—C23123.9 (5)
Cd1—O2—C11—O14.7 (4)C10—N2—C6—C70.1 (7)
Cd1—O2—C11—C12174.7 (3)C11—C12—C13—C14179.6 (4)
Cd1—O1—C11—O25.1 (4)C11—C12—C17—C16179.8 (4)
Cd1—O1—C11—C12174.4 (3)C12—C13—C14—C151.2 (7)
Cd1ii—O4A—C26—O3A28.7 (7)C13—C12—C17—C160.1 (6)
Cd1ii—O4A—C26—C23170.0 (3)C13—C14—C15—C161.2 (7)
Cd1ii—O4B—C26—O3B20.2 (7)C13—C14—C15—C18177.3 (4)
Cd1ii—O4B—C26—C23172.0 (4)C14—C15—C16—C170.7 (6)
Cd1ii—O3B—C26—O4B16.7 (6)C14—C15—C18—N4162.0 (4)
Cd1ii—O3B—C26—C23170.4 (4)C14—C15—C18—N515.6 (6)
Cd1ii—O3A—C26—O4A29.5 (7)C15—C16—C17—C120.1 (7)
Cd1ii—O3A—C26—C23171.3 (4)C16—C15—C18—N416.5 (6)
Cd1—N1—C1—C2174.2 (4)C16—C15—C18—N5166.0 (4)
Cd1—N1—C5—C4176.2 (3)C17—C12—C13—C140.6 (7)
Cd1—N2—C6—C7174.0 (4)C18—N5—C19—N30.6 (4)
Cd1—N2—C10—C9174.4 (4)C18—N5—C19—C20178.6 (4)
O2—C11—C12—C131.2 (6)C18—C15—C16—C17177.8 (4)
O2—C11—C12—C17178.6 (4)C19—N3—N4—C180.6 (4)
O1—C11—C12—C13178.3 (4)C19—N5—C18—N40.2 (5)
O1—C11—C12—C171.9 (6)C19—N5—C18—C15177.6 (4)
N1—C1—C2—C32.6 (9)C19—C20—C21—C22177.5 (4)
N2—C6—C7—C80.5 (8)C19—C20—C25—C24177.1 (4)
N3—N4—C18—N50.2 (5)C20—C21—C22—C230.1 (7)
N3—N4—C18—C15178.0 (4)C21—C20—C25—C242.0 (7)
N3—C19—C20—C21163.4 (4)C21—C22—C23—C241.6 (7)
N3—C19—C20—C2515.7 (7)C21—C22—C23—C26176.5 (4)
N4—N3—C19—N50.7 (5)C22—C23—C24—C251.2 (7)
N4—N3—C19—C20178.4 (4)C22—C23—C26—O4A15.3 (7)
N5—C19—C20—C2115.5 (6)C22—C23—C26—O4B18.0 (8)
N5—C19—C20—C25165.3 (4)C22—C23—C26—O3B169.1 (6)
C1—N1—C5—C40.8 (7)C22—C23—C26—O3A175.7 (7)
C1—C2—C3—C41.5 (9)C23—C24—C25—C200.6 (7)
C2—C3—C4—C50.5 (8)C24—C23—C26—O4A166.7 (5)
C3—C4—C5—N11.7 (7)C24—C23—C26—O4B160.1 (5)
C5—N1—C1—C21.4 (8)C24—C23—C26—O3B8.9 (8)
C6—N2—C10—C90.1 (7)C24—C23—C26—O3A6.2 (9)
C6—C7—C8—C91.0 (8)C25—C20—C21—C221.7 (7)
C7—C8—C9—C101.0 (7)C26—C23—C24—C25176.8 (4)
C8—C9—C10—N20.6 (7)
Symmetry codes: (i) x+1, y1, z+1; (ii) x1, y+1, z1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1W—H1WB···O1iii0.861.852.694 (4)166
O2W—H2WA···O4Wiv0.851.892.712 (4)164
O2W—H2WB···O20.851.922.767 (4)173
O3W—H3WA···O2W0.851.962.803 (4)172
O3W—H3WB···O2Wiv0.851.962.804 (4)170
O4W—H4WA···N4v0.852.253.079 (4)165
O4W—H4WB···N50.852.032.877 (4)171
O5W—H5WA···O3Wvi0.792.122.878 (4)161
O5W—H5WB···O3Wvii0.851.972.800 (4)164
N3—H3···O5W0.83 (5)1.89 (5)2.720 (4)177 (5)
Symmetry codes: (iii) x+1, y+1, z+2; (iv) x+1, y+1, z+1; (v) x+1, y+2, z+1; (vi) x, y+2, z+1; (vii) x, y+1, z.
 

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