Poly[bis­[μ2-1,3-bis­(pyridin-4-yl)urea-κ2N4:N4′]bis­(μ2-5-methyl­isophthalato-κ2O1:O3)dizinc(II)], a parallel inter­penetrated slab-like coordination polymer with {3.648}{326.728} 4,4-connected binodal topology

Jia, J.; LaDuca, R.L.

doi:10.1107/S2414314623006600

Poly[bis[μ₂-1,3-bis(pyridin-4-yl)urea-κ²N⁴:N^4′]bis(μ₂-5-methylisophthalato-κ²O¹:O³)dizinc(II)], a parallel interpenetrated slab-like coordination polymer with {3.6⁴8}{3²6.7²8} 4,4-connected binodal topology

In the title compound, [Zn₂(C₉H₆O₄)₂(C₁₁H₁₀N₄O)₂]_n, diperiodic coordination polymer slabs with {3.6⁴8}{3²6.7²8} 4,4-connected binodal topology are held into a parallel interpenetrated triperiodic crystal structure by means of N—H

O hydrogen-bonding patterns.

Keywords: crystal structure; coordination polymer; {3.6⁴8}{3²6.7²8} 4,4-connected binodal topology.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S2414314623006600/pk4042sup1.cif Contains datablocks I, 1R
	Structure factor file (CIF format) https://doi.org/10.1107/S2414314623006600/pk4042Isup2.hkl Contains datablock I

CCDC reference: 1959994

checkCIF report

Key indicators

Structure: I

Single-crystal X-ray study
T = 173 K
Mean (C-C) = 0.005 Å
R factor = 0.038
wR factor = 0.096
Data-to-parameter ratio = 11.9

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ     Please Check
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.59 Report
PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L=    0.600          4 Report

Alert level G
PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension          2 Info
PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms ..............          2 Report
PLAT045_ALERT_1_G Calculated and Reported Z Differ by a Factor ...          2 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H9A        Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H9B        Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H9C        Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H15A       Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H15B       Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H15C       Constrained at        0.5 Check
PLAT367_ALERT_2_G Long?  C(sp?)-C(sp?) Bond  C6       - C9       .       1.51 Ang.
PLAT367_ALERT_2_G Long?  C(sp?)-C(sp?) Bond  C14      - C15      .       1.51 Ang.
PLAT789_ALERT_4_G Atoms with Negative _atom_site_disorder_group  #          6 Check
PLAT794_ALERT_5_G Tentative Bond Valency for Zn1       (II)      .       1.87 Info
PLAT794_ALERT_5_G Tentative Bond Valency for Zn2       (II)      .       1.97 Info
PLAT822_ALERT_4_G CIF-embedded .res Contains Negative PART Numbers          2 Check
PLAT909_ALERT_3_G Percentage of I>2sig(I) Data at Theta(Max) Still        58% Note
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600          1 Note
PLAT955_ALERT_1_G Reported (CIF) and Actual (FCF) Lmax Differ by .          1 Units
PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density.          1 Info

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   3 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  19 ALERT level G = General information/check it is not something unexpected

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 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
   9 ALERT type 4 Improvement, methodology, query or suggestion
   4 ALERT type 5 Informative message, check

Computing details top

Data collection: COSMO (Bruker, 2009); cell refinement: SAINT (Bruker, 2014); data reduction: SAINT (Bruker, 2014); program(s) used to solve structure: SHELXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL (Sheldrick, 2015b); molecular graphics: Crystal Maker X (Palmer, 2020); software used to prepare material for publication: OLEX2 (Dolomanov et al., (2009).

Poly[bis[µ₂-1,3-bis(pyridin-4-yl)urea-κ²N⁴:N^4']bis(µ₂-5-methylisophthalato-κ²O¹:O³)dizinc(II)] top

Crystal data top

[Zn₂(C₉H₆O₄)₂(C₁₁H₁₀N₄O)₂]	D_x = 1.624 Mg m⁻³
M_r = 915.47	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Pbcm	Cell parameters from 8405 reflections
a = 12.0755 (11) Å	θ = 2.3–25.2°
b = 17.7239 (16) Å	µ = 1.36 mm⁻¹
c = 17.4919 (16) Å	T = 173 K
V = 3743.7 (6) Å³	Block, colourless
Z = 4	0.29 × 0.16 × 0.11 mm
F(000) = 1872

Data collection top

Bruker APEXII CCD diffractometer	3546 independent reflections
Radiation source: sealed tube	2731 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.068
Detector resolution: 8.36 pixels mm^-1	θ_max = 25.3°, θ_min = 1.7°
ω scans	h = −14→14
Absorption correction: multi-scan (SADABS; Krause et al., 2015)	k = −20→21
T_min = 0.654, T_max = 0.745	l = −21→21
29050 measured reflections

Refinement top

Refinement on F²	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.038	H-atom parameters constrained
wR(F²) = 0.096	w = 1/[σ²(F_o²) + (0.0396P)² + 4.9027P] where P = (F_o² + 2F_c²)/3
S = 1.04	(Δ/σ)_max = 0.001
3546 reflections	Δρ_max = 0.88 e Å⁻³
299 parameters	Δρ_min = −0.34 e Å⁻³
0 restraints

Special details top

Experimental. Data were collected using a BRUKER CCD (charge coupled device) based diffractometer equipped with an Oxford low-temperature apparatus operating at 173 K. A suitable crystal was chosen and mounted on a nylon loop using Paratone oil. Data were measured using omega scans of 0.5° per frame for 30 s. The total number of images were based on results from the program COSMO where redundancy was expected to be 4 and completeness to 0.83Å to 100%. Cell parameters were retrieved using APEX II software and refined using SAINT on all observed reflections.Data reduction was performed using the SAINT software which corrects for Lp. Scaling and absorption corrections were applied using SADABS multi-scan technique, supplied by George Sheldrick. The structure was solved by the direct method using the SHELXT program and refined by least squares method on F2, SHELXL, incorporated in OLEX2.

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.

Refinement. The structure was refined by Least Squares using version 2018/3 of SHELXL (Sheldrick, 2015b) incorporated in OLEX2 (Dolomanov et al., 2009). All non-hydrogen atoms were refined anisotropically. Hydrogen atom positions were calculated geometrically and refined using the riding model, except for the Hydrogen atom on the nitrogen atom which was found by difference Fourier methods and refined isotropically.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Zn1	0.22230 (4)	0.72239 (3)	0.2500	0.02069 (15)
Zn2	1.05581 (4)	0.2500	0.5000	0.02236 (15)
O1	0.1090 (2)	0.64386 (17)	0.2500	0.0286 (7)
O2	0.1735 (3)	0.52565 (17)	0.2500	0.0319 (8)
O3	−0.2841 (3)	0.34350 (18)	0.2500	0.0424 (9)
O4	−0.1108 (3)	0.31038 (17)	0.2500	0.0338 (8)
O5	1.10499 (17)	0.24973 (12)	0.60942 (12)	0.0261 (5)
O6	1.21086 (18)	0.17083 (12)	0.54534 (11)	0.0282 (5)
O7	0.59432 (19)	0.48433 (13)	0.42346 (14)	0.0378 (6)
N1	0.3308 (2)	0.69427 (14)	0.33766 (15)	0.0245 (6)
N2	0.6071 (2)	0.60954 (15)	0.45472 (15)	0.0280 (6)
H2	0.6473	0.6425	0.4802	0.034*
N3	0.7414 (2)	0.52788 (15)	0.49375 (15)	0.0273 (6)
H3	0.7647	0.5673	0.5197	0.033*
N4	0.9487 (2)	0.33934 (14)	0.50316 (14)	0.0242 (6)
C1	0.0980 (4)	0.5716 (2)	0.2500	0.0226 (10)
C2	−0.0202 (3)	0.5443 (2)	0.2500	0.0205 (9)
C3	−0.0429 (4)	0.4671 (2)	0.2500	0.0232 (10)
H3A	0.0159	0.4315	0.2500	0.028*
C4	−0.1522 (4)	0.4429 (2)	0.2500	0.0236 (10)
C5	−0.2375 (4)	0.4956 (3)	0.2500	0.0277 (10)
H5	−0.3121	0.4785	0.2500	0.033*
C6	−0.2167 (4)	0.5721 (3)	0.2500	0.0283 (11)
C7	−0.1065 (3)	0.5954 (2)	0.2500	0.0232 (10)
H7	−0.0903	0.6478	0.2500	0.028*
C8	−0.1840 (4)	0.3612 (3)	0.2500	0.0246 (10)
C9	−0.3097 (4)	0.6291 (3)	0.2500	0.0403 (13)
H9A	−0.3105	0.6560	0.2989	0.061*	0.5
H9B	−0.3805	0.6030	0.2428	0.061*	0.5
H9C	−0.2984	0.6652	0.2083	0.061*	0.5
C10	1.1788 (2)	0.19887 (16)	0.60787 (17)	0.0223 (7)
C11	1.2281 (2)	0.17337 (16)	0.68140 (16)	0.0190 (6)
C12	1.1792 (3)	0.1945 (2)	0.7500	0.0191 (9)
H12	1.1128	0.2232	0.7500	0.023*
C13	1.3233 (2)	0.12961 (16)	0.68196 (17)	0.0217 (7)
H13	1.3555	0.1146	0.6348	0.026*
C14	1.3722 (3)	0.1073 (2)	0.7500	0.0230 (10)
C15	1.4743 (4)	0.0582 (3)	0.7500	0.0322 (11)
H15A	1.4537	0.0064	0.7365	0.048*	0.5
H15B	1.5080	0.0587	0.8010	0.048*	0.5
H15C	1.5276	0.0775	0.7125	0.048*	0.5
C16	0.3396 (3)	0.62065 (18)	0.35476 (19)	0.0283 (7)
H16	0.2819	0.5879	0.3385	0.034*
C17	0.4266 (3)	0.58995 (19)	0.39417 (18)	0.0292 (8)
H17	0.4284	0.5374	0.4050	0.035*
C18	0.5121 (3)	0.63642 (18)	0.41805 (17)	0.0241 (7)
C19	0.5028 (3)	0.71332 (18)	0.40297 (19)	0.0285 (7)
H19	0.5585	0.7473	0.4199	0.034*
C20	0.4126 (3)	0.73950 (18)	0.36345 (19)	0.0293 (8)
H20	0.4074	0.7921	0.3537	0.035*
C21	0.6433 (3)	0.53544 (19)	0.45420 (18)	0.0287 (8)
C22	0.8676 (3)	0.34385 (19)	0.45077 (19)	0.0342 (8)
H22	0.8600	0.3036	0.4153	0.041*
C23	0.7952 (3)	0.40320 (19)	0.44552 (19)	0.0323 (8)
H23	0.7382	0.4034	0.4081	0.039*
C24	0.8071 (3)	0.46316 (17)	0.49621 (18)	0.0241 (7)
C25	0.8906 (3)	0.45927 (18)	0.55071 (18)	0.0263 (7)
H25	0.9008	0.4992	0.5863	0.032*
C26	0.9581 (3)	0.39689 (18)	0.55249 (18)	0.0266 (7)
H26	1.0142	0.3944	0.5905	0.032*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Zn1	0.0175 (3)	0.0172 (3)	0.0274 (3)	0.0009 (2)	0.000	0.000
Zn2	0.0250 (3)	0.0248 (3)	0.0173 (3)	0.000	0.000	0.0021 (2)
O1	0.0233 (16)	0.0167 (17)	0.046 (2)	−0.0039 (13)	0.000	0.000
O2	0.0214 (17)	0.0210 (17)	0.053 (2)	0.0003 (14)	0.000	0.000
O3	0.031 (2)	0.0230 (19)	0.074 (3)	−0.0118 (15)	0.000	0.000
O4	0.0318 (19)	0.0166 (17)	0.053 (2)	−0.0057 (14)	0.000	0.000
O5	0.0301 (12)	0.0267 (12)	0.0216 (11)	0.0084 (10)	−0.0043 (9)	0.0007 (9)
O6	0.0387 (14)	0.0292 (13)	0.0167 (11)	0.0069 (10)	0.0021 (10)	−0.0012 (9)
O7	0.0370 (14)	0.0308 (14)	0.0455 (15)	0.0031 (11)	−0.0199 (12)	−0.0093 (12)
N1	0.0207 (14)	0.0236 (15)	0.0292 (14)	0.0009 (11)	−0.0001 (11)	−0.0004 (12)
N2	0.0271 (15)	0.0243 (15)	0.0326 (16)	0.0021 (12)	−0.0129 (12)	−0.0045 (12)
N3	0.0299 (15)	0.0224 (14)	0.0295 (15)	0.0024 (11)	−0.0088 (12)	−0.0028 (12)
N4	0.0263 (14)	0.0250 (15)	0.0213 (14)	0.0024 (11)	−0.0020 (11)	−0.0004 (11)
C1	0.027 (2)	0.021 (2)	0.020 (2)	−0.003 (2)	0.000	0.000
C2	0.023 (2)	0.021 (2)	0.018 (2)	−0.0049 (18)	0.000	0.000
C3	0.025 (2)	0.023 (2)	0.022 (2)	−0.0022 (19)	0.000	0.000
C4	0.029 (2)	0.020 (2)	0.022 (2)	−0.0045 (19)	0.000	0.000
C5	0.023 (2)	0.023 (3)	0.037 (3)	−0.0068 (19)	0.000	0.000
C6	0.021 (2)	0.028 (3)	0.036 (3)	0.001 (2)	0.000	0.000
C7	0.023 (2)	0.017 (2)	0.029 (2)	−0.0037 (18)	0.000	0.000
C8	0.028 (2)	0.026 (3)	0.021 (2)	−0.005 (2)	0.000	0.000
C9	0.023 (3)	0.031 (3)	0.067 (4)	0.001 (2)	0.000	0.000
C10	0.0242 (16)	0.0190 (16)	0.0237 (17)	−0.0008 (13)	0.0014 (13)	0.0003 (13)
C11	0.0194 (15)	0.0186 (16)	0.0190 (15)	−0.0021 (12)	−0.0011 (12)	−0.0024 (12)
C12	0.018 (2)	0.013 (2)	0.026 (2)	−0.0001 (17)	0.000	0.000
C13	0.0239 (16)	0.0192 (16)	0.0221 (16)	0.0002 (13)	0.0028 (13)	−0.0007 (13)
C14	0.018 (2)	0.021 (2)	0.030 (2)	0.0011 (18)	0.000	0.000
C15	0.031 (3)	0.037 (3)	0.028 (3)	0.014 (2)	0.000	0.000
C16	0.0245 (17)	0.0278 (19)	0.0327 (18)	−0.0048 (14)	−0.0017 (14)	0.0039 (15)
C17	0.0270 (18)	0.0270 (18)	0.0335 (19)	−0.0026 (14)	−0.0053 (15)	0.0034 (15)
C18	0.0243 (16)	0.0272 (18)	0.0206 (15)	0.0014 (14)	−0.0014 (13)	−0.0022 (13)
C19	0.0250 (17)	0.0260 (18)	0.0344 (19)	0.0002 (14)	−0.0105 (15)	−0.0062 (15)
C20	0.0290 (18)	0.0217 (18)	0.037 (2)	0.0013 (14)	−0.0022 (15)	−0.0044 (14)
C21	0.0314 (18)	0.031 (2)	0.0240 (17)	0.0037 (15)	−0.0047 (15)	0.0031 (15)
C22	0.045 (2)	0.030 (2)	0.0277 (18)	0.0054 (16)	−0.0134 (16)	−0.0094 (15)
C23	0.0356 (19)	0.035 (2)	0.0265 (18)	0.0082 (15)	−0.0113 (15)	−0.0035 (15)
C24	0.0233 (16)	0.0253 (17)	0.0238 (16)	−0.0002 (13)	−0.0016 (13)	0.0028 (14)
C25	0.0273 (17)	0.0286 (19)	0.0230 (17)	−0.0019 (14)	−0.0041 (13)	−0.0037 (14)
C26	0.0259 (17)	0.0315 (19)	0.0224 (16)	0.0005 (14)	−0.0044 (13)	−0.0004 (14)

Geometric parameters (Å, º) top

Zn1—O1	1.952 (3)	C5—C6	1.379 (6)
Zn1—O3ⁱ	2.272 (3)	C6—C7	1.393 (6)
Zn1—O4ⁱ	2.060 (3)	C6—C9	1.510 (6)
Zn1—N1	2.077 (3)	C7—H7	0.9500
Zn1—N1ⁱⁱ	2.077 (3)	C8—Zn1^iv	2.503 (5)
Zn2—O5ⁱⁱⁱ	2.004 (2)	C9—H9A	0.9800
Zn2—O5	2.004 (2)	C9—H9B	0.9800
Zn2—N4ⁱⁱⁱ	2.045 (3)	C9—H9C	0.9800
Zn2—N4	2.045 (3)	C10—C11	1.488 (4)
O1—C1	1.287 (5)	C11—C12	1.388 (4)
O2—C1	1.223 (5)	C11—C13	1.387 (4)
O3—Zn1^iv	2.272 (3)	C12—C11^v	1.389 (4)
O3—C8	1.248 (5)	C12—H12	0.9500
O4—Zn1^iv	2.060 (3)	C13—H13	0.9500
O4—C8	1.262 (5)	C13—C14	1.386 (4)
O5—C10	1.268 (4)	C14—C13^v	1.386 (4)
O6—C10	1.262 (4)	C14—C15	1.510 (6)
O7—C21	1.208 (4)	C15—H15A	0.9800
N1—C16	1.343 (4)	C15—H15B	0.9800
N1—C20	1.350 (4)	C15—H15C	0.9800
N2—H2	0.8800	C16—H16	0.9500
N2—C18	1.399 (4)	C16—C17	1.370 (4)
N2—C21	1.384 (4)	C17—H17	0.9500
N3—H3	0.8800	C17—C18	1.385 (4)
N3—C21	1.378 (4)	C18—C19	1.393 (4)
N3—C24	1.395 (4)	C19—H19	0.9500
N4—C22	1.343 (4)	C19—C20	1.371 (4)
N4—C26	1.341 (4)	C20—H20	0.9500
C1—C2	1.507 (6)	C22—H22	0.9500
C2—C3	1.395 (6)	C22—C23	1.371 (5)
C2—C7	1.380 (6)	C23—H23	0.9500
C3—H3A	0.9500	C23—C24	1.391 (4)
C3—C4	1.389 (6)	C24—C25	1.389 (4)
C4—C5	1.391 (6)	C25—H25	0.9500
C4—C8	1.497 (6)	C25—C26	1.374 (4)
C5—H5	0.9500	C26—H26	0.9500

O1—Zn1—O3ⁱ	154.66 (12)	C6—C9—H9C	109.5
O1—Zn1—O4ⁱ	94.69 (13)	H9A—C9—H9B	109.5
O1—Zn1—N1ⁱⁱ	105.72 (9)	H9A—C9—H9C	109.5
O1—Zn1—N1	105.72 (9)	H9B—C9—H9C	109.5
O4ⁱ—Zn1—O3ⁱ	59.97 (12)	O5—C10—Zn2	50.06 (14)
O4ⁱ—Zn1—N1	126.42 (8)	O5—C10—C11	118.6 (3)
O4ⁱ—Zn1—N1ⁱⁱ	126.42 (8)	O6—C10—Zn2	71.31 (16)
N1ⁱⁱ—Zn1—O3ⁱ	91.13 (9)	O6—C10—O5	120.9 (3)
N1—Zn1—O3ⁱ	91.12 (9)	O6—C10—C11	120.5 (3)
N1ⁱⁱ—Zn1—N1	95.14 (14)	C11—C10—Zn2	167.0 (2)
O5—Zn2—O5ⁱⁱⁱ	145.53 (12)	C12—C11—C10	119.7 (3)
O5—Zn2—N4ⁱⁱⁱ	102.20 (9)	C13—C11—C10	120.5 (3)
O5ⁱⁱⁱ—Zn2—N4ⁱⁱⁱ	99.41 (9)	C13—C11—C12	119.8 (3)
O5—Zn2—N4	99.41 (9)	C11—C12—C11^v	119.6 (4)
O5ⁱⁱⁱ—Zn2—N4	102.20 (9)	C11^v—C12—H12	120.2
N4ⁱⁱⁱ—Zn2—N4	101.55 (14)	C11—C12—H12	120.2
C1—O1—Zn1	141.4 (3)	C11—C13—H13	119.4
C8—O3—Zn1^iv	85.4 (3)	C14—C13—C11	121.3 (3)
C8—O4—Zn1^iv	94.7 (3)	C14—C13—H13	119.4
C10—O5—Zn2	100.92 (18)	C13^v—C14—C13	118.3 (4)
C10—O6—Zn2	79.75 (17)	C13^v—C14—C15	120.85 (19)
C16—N1—Zn1	116.6 (2)	C13—C14—C15	120.85 (19)
C16—N1—C20	116.4 (3)	C14—C15—H15A	109.5
C20—N1—Zn1	124.5 (2)	C14—C15—H15B	109.5
C18—N2—H2	117.3	C14—C15—H15C	109.5
C21—N2—H2	117.3	H15A—C15—H15B	109.5
C21—N2—C18	125.4 (3)	H15A—C15—H15C	109.5
C21—N3—H3	117.1	H15B—C15—H15C	109.5
C21—N3—C24	125.7 (3)	N1—C16—H16	118.0
C24—N3—H3	117.1	N1—C16—C17	124.0 (3)
C22—N4—Zn2	119.2 (2)	C17—C16—H16	118.0
C26—N4—Zn2	123.6 (2)	C16—C17—H17	120.4
C26—N4—C22	117.1 (3)	C16—C17—C18	119.2 (3)
O1—C1—C2	114.7 (4)	C18—C17—H17	120.4
O2—C1—O1	125.8 (4)	C17—C18—N2	123.2 (3)
O2—C1—C2	119.5 (4)	C17—C18—C19	117.7 (3)
C3—C2—C1	120.0 (4)	C19—C18—N2	119.1 (3)
C7—C2—C1	120.3 (4)	C18—C19—H19	120.3
C7—C2—C3	119.7 (4)	C20—C19—C18	119.4 (3)
C2—C3—H3A	120.3	C20—C19—H19	120.3
C4—C3—C2	119.3 (4)	N1—C20—C19	123.3 (3)
C4—C3—H3A	120.3	N1—C20—H20	118.3
C3—C4—C5	119.7 (4)	C19—C20—H20	118.3
C3—C4—C8	122.9 (4)	O7—C21—N2	124.0 (3)
C5—C4—C8	117.4 (4)	O7—C21—N3	124.9 (3)
C4—C5—H5	119.1	N3—C21—N2	111.1 (3)
C6—C5—C4	121.7 (4)	N4—C22—H22	118.1
C6—C5—H5	119.1	N4—C22—C23	123.8 (3)
C5—C6—C7	117.7 (4)	C23—C22—H22	118.1
C5—C6—C9	121.5 (4)	C22—C23—H23	120.7
C7—C6—C9	120.8 (4)	C22—C23—C24	118.5 (3)
C2—C7—C6	121.8 (4)	C24—C23—H23	120.7
C2—C7—H7	119.1	C23—C24—N3	123.4 (3)
C6—C7—H7	119.1	C25—C24—N3	118.3 (3)
O3—C8—Zn1^iv	64.8 (2)	C25—C24—C23	118.3 (3)
O3—C8—O4	119.9 (4)	C24—C25—H25	120.5
O3—C8—C4	119.4 (4)	C26—C25—C24	119.1 (3)
O4—C8—Zn1^iv	55.1 (2)	C26—C25—H25	120.5
O4—C8—C4	120.7 (4)	N4—C26—C25	123.2 (3)
C4—C8—Zn1^iv	175.8 (3)	N4—C26—H26	118.4
C6—C9—H9A	109.5	C25—C26—H26	118.4
C6—C9—H9B	109.5

Zn1—O1—C1—O2	0.0	C3—C4—C8—O4	0.0
Zn1—O1—C1—C2	180.0	C4—C5—C6—C7	0.0
Zn1^iv—O3—C8—O4	0.0	C4—C5—C6—C9	180.0
Zn1^iv—O3—C8—C4	180.0	C5—C4—C8—O3	0.0
Zn1^iv—O4—C8—O3	0.0	C5—C4—C8—O4	180.0
Zn1^iv—O4—C8—C4	180.0	C5—C6—C7—C2	0.0
Zn1—N1—C16—C17	160.9 (3)	C7—C2—C3—C4	0.0
Zn1—N1—C20—C19	−159.1 (3)	C8—C4—C5—C6	180.0
Zn2—O5—C10—O6	8.4 (3)	C9—C6—C7—C2	180.0
Zn2—O5—C10—C11	−172.3 (2)	C10—C11—C12—C11^v	−177.2 (2)
Zn2—O6—C10—O5	−6.8 (3)	C10—C11—C13—C14	177.9 (3)
Zn2—O6—C10—C11	174.0 (3)	C11—C13—C14—C13^v	0.3 (6)
Zn2—N4—C22—C23	−176.6 (3)	C11—C13—C14—C15	178.6 (4)
Zn2—N4—C26—C25	175.2 (2)	C12—C11—C13—C14	−1.1 (5)
Zn2—C10—C11—C12	−15.1 (11)	C13—C11—C12—C11^v	1.9 (6)
Zn2—C10—C11—C13	165.9 (8)	C16—N1—C20—C19	2.1 (5)
O1—C1—C2—C3	180.0	C16—C17—C18—N2	−176.2 (3)
O1—C1—C2—C7	0.0	C16—C17—C18—C19	2.3 (5)
O2—C1—C2—C3	0.0	C17—C18—C19—C20	−2.1 (5)
O2—C1—C2—C7	180.0	C18—N2—C21—O7	−2.4 (5)
O5—C10—C11—C12	12.0 (5)	C18—N2—C21—N3	178.2 (3)
O5—C10—C11—C13	−167.0 (3)	C18—C19—C20—N1	−0.2 (5)
O6—C10—C11—C12	−168.7 (3)	C20—N1—C16—C17	−1.8 (5)
O6—C10—C11—C13	12.3 (4)	C21—N2—C18—C17	18.2 (5)
N1—C16—C17—C18	−0.4 (5)	C21—N2—C18—C19	−160.4 (3)
N2—C18—C19—C20	176.6 (3)	C21—N3—C24—C23	15.0 (5)
N3—C24—C25—C26	−178.1 (3)	C21—N3—C24—C25	−166.9 (3)
N4—C22—C23—C24	1.3 (6)	C22—N4—C26—C25	−1.0 (5)
C1—C2—C3—C4	180.0	C22—C23—C24—N3	176.9 (3)
C1—C2—C7—C6	180.0	C22—C23—C24—C25	−1.2 (5)
C2—C3—C4—C5	0.0	C23—C24—C25—C26	0.1 (5)
C2—C3—C4—C8	180.0	C24—N3—C21—O7	9.0 (5)
C3—C2—C7—C6	0.0	C24—N3—C21—N2	−171.5 (3)
C3—C4—C5—C6	0.0	C24—C25—C26—N4	1.0 (5)
C3—C4—C8—O3	180.0	C26—N4—C22—C23	−0.2 (5)

Symmetry codes: (i) −x, y+1/2, −z+1/2; (ii) x, y, −z+1/2; (iii) x, −y+1/2, −z+1; (iv) −x, y−1/2, −z+1/2; (v) x, y, −z+3/2.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2···O6^vi	0.88	2.12	2.919 (3)	151
N3—H3···O6^vi	0.88	1.91	2.751 (3)	159
C5—H5···O3	0.95	2.42	2.754 (5)	101
C7—H7···O1	0.95	2.41	2.741 (5)	100
C17—H17···O7	0.95	2.24	2.805 (4)	117
C23—H23···O7	0.95	2.27	2.846 (4)	118

Symmetry code: (vi) −x+2, y+1/2, z.

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Poly[bis­[μ2-1,3-bis­(pyridin-4-yl)urea-κ2N4:N4′]bis­(μ2-5-methyl­isophthalato-κ2O1:O3)dizinc(II)], a parallel inter­penetrated slab-like coordination polymer with {3.648}{326.728} 4,4-connected binodal topology

Supporting information

Key indicators

checkCIF/PLATON results

Poly[bis[μ₂-1,3-bis(pyridin-4-yl)urea-κ²N⁴:N^4′]bis(μ₂-5-methylisophthalato-κ²O¹:O³)dizinc(II)], a parallel interpenetrated slab-like coordination polymer with {3.6⁴8}{3²6.7²8} 4,4-connected binodal topology