Home Physical Sciences Crystal structure of 72,73,75,76-tetrafluoro-25,44-dimethyl-31,33,36,38-tetraoxo-31,32,33,36,37,38-hexahydro-3(2,7)-benzo[lmn][3,8]phenanthrolina-1,5(4,1)-dipyridin-1-iuma-2,4(1,2),7(1,4)-tribenzenacyclooctaphane-11,51-diium hexafluoridophosphate, [C46H28F4N4O4][PF6]2, a dicationic cyclophane
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Crystal structure of 72,73,75,76-tetrafluoro-25,44-dimethyl-31,33,36,38-tetraoxo-31,32,33,36,37,38-hexahydro-3(2,7)-benzo[lmn][3,8]phenanthrolina-1,5(4,1)-dipyridin-1-iuma-2,4(1,2),7(1,4)-tribenzenacyclooctaphane-11,51-diium hexafluoridophosphate, [C46H28F4N4O4][PF6]2, a dicationic cyclophane

  • Xiuteng Wang and Wei Wei ORCID logo EMAIL logo
Published/Copyright: October 31, 2024
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Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 240 Issue 1

Abstract

C46H28F16N4O4P2, monoclinic, P21/n (no. 14), a = 9.3041(2) Å, b = 22.4679(5) Å, c = 19.9446(3) Å, β = 98.154(2)°, V = 4,127.14(14) Å3, Z = 4, Rgt (F) = 0.0478, wRref (F 2) = 0.1411, T = 173(2) K.

CCDC no.: 1870927

Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters.

Table 1:

Data collection and handling.

Crystal: Colorless prism
Size: 0.26 × 0.21 × 0.20 mm
Wavelength: Cu Kα radiation (1.54184 Å)
μ: 2.11 mm−1
Diffractometer, scan mode: RIGAKU XtaLAB P200, φ and ω
θ max, completeness: 73.9°, >99 %
N(hkl)measured, N(hkl)unique, R int: 24,672, 8,169, 0.030
Criterion for I obs, N(hkl)gt: I obs > 2 σ(I obs), 6,826
N(param)refined: 651
Programs: Bruker, 1 SHELX, 2 , 3 Olex2 4
Table 2:

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

Atom x y z U iso*/U eq
P001 0.69407 (7) 0.51807 (3) 0.38952 (3) 0.03046 (15)
F1 0.49150 (17) 0.68605 (6) 0.43832 (7) 0.0375 (3)
O1 0.48231 (18) 0.54505 (7) 0.07785 (9) 0.0340 (4)
N1 0.5653 (2) 0.68551 (8) 0.24132 (10) 0.0285 (4)
C1 0.5183 (3) 0.70573 (9) 0.17805 (12) 0.0290 (5)
H1 0.4431 0.7346 0.1711 0.035*
P002 0.51806 (8) 0.22304 (3) 0.14149 (4) 0.03846 (17)
F2 0.31869 (18) 0.60855 (7) 0.48862 (7) 0.0408 (4)
O2 0.94359 (18) 0.48221 (7) 0.15257 (8) 0.0297 (3)
N2 0.7131 (2) 0.51324 (8) 0.11432 (9) 0.0250 (4)
C2 0.5789 (3) 0.68465 (9) 0.12392 (12) 0.0284 (5)
H2 0.5466 0.6994 0.0797 0.034*
F3 0.31345 (18) 0.62016 (7) 0.21714 (7) 0.0424 (4)
O3 0.20501 (17) 0.32481 (7) 0.27488 (8) 0.0287 (3)
N3 0.4352 (2) 0.30320 (8) 0.32486 (9) 0.0258 (4)
C3 0.6885 (2) 0.64132 (9) 0.13371 (11) 0.0267 (5)
F4 0.14714 (18) 0.54069 (7) 0.26835 (8) 0.0456 (4)
O4 0.66646 (19) 0.27980 (7) 0.37181 (9) 0.0332 (4)
N4 0.1738 (2) 0.46717 (8) 0.41146 (10) 0.0319 (4)
C4 0.7369 (3) 0.62307 (10) 0.19998 (12) 0.0300 (5)
H4 0.8134 0.5949 0.2085 0.036*
F5 0.6962 (2) 0.58933 (7) 0.39752 (8) 0.0524 (4)
C5 0.6742 (3) 0.64571 (10) 0.25282 (12) 0.0306 (5)
H5 0.7079 0.6332 0.2978 0.037*
F6 0.59622 (19) 0.51433 (8) 0.44920 (8) 0.0502 (4)
C6 0.7491 (2) 0.61629 (10) 0.07547 (11) 0.0259 (4)
F7 0.55357 (18) 0.52266 (8) 0.33482 (8) 0.0493 (4)
C7 0.7873 (3) 0.65436 (10) 0.02536 (11) 0.0279 (5)
H7 0.7712 0.6959 0.0290 0.034*
F8 0.6942 (2) 0.44807 (7) 0.38362 (9) 0.0564 (5)
C8 0.8482 (3) 0.63282 (10) −0.02959 (11) 0.0287 (5)
F9 0.79308 (18) 0.52315 (8) 0.33052 (8) 0.0468 (4)
C9 0.8902 (3) 0.67474 (11) −0.08247 (12) 0.0347 (5)
H9A 0.8041 0.6965 −0.1035 0.052*
H9B 0.9310 0.6520 −0.1172 0.052*
H9C 0.9629 0.7030 −0.0611 0.052*
F10 0.83624 (18) 0.51497 (7) 0.44573 (8) 0.0459 (4)
C10 0.8703 (3) 0.57155 (10) −0.03398 (11) 0.0293 (5)
H10 0.9155 0.5561 −0.0701 0.035*
F11 0.51311 (19) 0.29313 (7) 0.12781 (9) 0.0504 (4)
C11 0.8271 (3) 0.53295 (10) 0.01367 (11) 0.0281 (5)
H11 0.8390 0.4913 0.0088 0.034*
F12 0.5986 (2) 0.23415 (7) 0.21726 (8) 0.0533 (4)
C12 0.7669 (2) 0.55476 (9) 0.06795 (11) 0.0253 (4)
F13 0.6737 (2) 0.21884 (8) 0.11739 (9) 0.0540 (4)
C13 0.5612 (3) 0.51196 (9) 0.11421 (11) 0.0270 (5)
F14 0.5245 (2) 0.15311 (7) 0.15714 (11) 0.0583 (5)
C14 0.8136 (2) 0.47653 (9) 0.15412 (11) 0.0250 (4)
F15 0.4402 (3) 0.21142 (10) 0.06742 (12) 0.0871 (8)
C15 0.5059 (2) 0.46879 (9) 0.16051 (11) 0.0248 (4)
F16 0.3675 (2) 0.22751 (9) 0.16927 (14) 0.0770 (7)
C16 0.7540 (2) 0.43153 (9) 0.19700 (11) 0.0247 (4)
C17 0.3600 (3) 0.46748 (10) 0.16541 (12) 0.0283 (5)
H17 0.2969 0.4963 0.1421 0.034*
C18 0.6026 (2) 0.42906 (9) 0.19868 (11) 0.0242 (4)
C19 0.8461 (3) 0.39324 (10) 0.23634 (12) 0.0283 (5)
H19 0.9475 0.3947 0.2345 0.034*
C20 0.3039 (3) 0.42366 (10) 0.20470 (12) 0.0282 (5)
H20 0.2025 0.4220 0.2065 0.034*
C21 0.5469 (2) 0.38675 (9) 0.24040 (11) 0.0243 (4)
C22 0.7911 (3) 0.35226 (10) 0.27901 (12) 0.0282 (5)
H22 0.8555 0.3265 0.3065 0.034*
C23 0.3952 (2) 0.38313 (9) 0.24066 (11) 0.0250 (4)
C24 0.6437 (2) 0.34906 (9) 0.28139 (11) 0.0252 (4)
C25 0.3353 (2) 0.33521 (9) 0.27957 (11) 0.0252 (4)
C26 0.5878 (3) 0.30767 (9) 0.32944 (11) 0.0279 (5)
C27 0.3787 (3) 0.26335 (9) 0.37213 (11) 0.0266 (4)
C28 0.4056 (3) 0.20286 (10) 0.36826 (12) 0.0290 (5)
H28 0.4575 0.1878 0.3342 0.035*
C29 0.3562 (3) 0.16432 (10) 0.41463 (12) 0.0301 (5)
H29 0.3757 0.1229 0.4121 0.036*
C30 0.2788 (3) 0.18515 (10) 0.46448 (11) 0.0292 (5)
C31 0.2286 (3) 0.14348 (11) 0.51588 (12) 0.0351 (5)
H31A 0.1629 0.1136 0.4925 0.053*
H31B 0.1774 0.1662 0.5471 0.053*
H31C 0.3128 0.1236 0.5414 0.053*
C32 0.2480 (3) 0.24585 (10) 0.46598 (11) 0.0288 (5)
H32 0.1918 0.2606 0.4986 0.035*
C33 0.2982 (3) 0.28547 (9) 0.42051 (11) 0.0272 (5)
C34 0.2578 (3) 0.34945 (10) 0.42200 (11) 0.0282 (5)
C35 0.1137 (3) 0.36595 (10) 0.42211 (12) 0.0319 (5)
H35 0.0426 0.3363 0.4262 0.038*
C36 0.0736 (3) 0.42476 (11) 0.41634 (13) 0.0344 (5)
H36 −0.0253 0.4355 0.4158 0.041*
C37 0.3140 (3) 0.45294 (10) 0.41483 (13) 0.0331 (5)
H37 0.3837 0.4836 0.4133 0.040*
C38 0.3595 (3) 0.39452 (10) 0.42043 (12) 0.0313 (5)
H38 0.4597 0.3851 0.4232 0.038*
C39 0.1246 (3) 0.53109 (10) 0.40713 (15) 0.0377 (6)
H39A 0.0298 0.5335 0.3776 0.045*
H39B 0.1100 0.5448 0.4529 0.045*
C40 0.2295 (3) 0.57166 (10) 0.38012 (13) 0.0329 (5)
C41 0.3190 (3) 0.61012 (10) 0.42123 (11) 0.0306 (5)
C42 0.4063 (3) 0.65059 (9) 0.39512 (11) 0.0300 (5)
C43 0.4077 (3) 0.65662 (9) 0.32627 (12) 0.0285 (5)
C44 0.4927 (3) 0.70561 (10) 0.29904 (12) 0.0320 (5)
H44A 0.4265 0.7390 0.2841 0.038*
H44B 0.5670 0.7204 0.3357 0.038*
C45 0.3177 (3) 0.61765 (10) 0.28505 (12) 0.0315 (5)
C46 0.2329 (3) 0.57637 (10) 0.31106 (13) 0.0337 (5)

1 Source of materials

Bis(4-methyl-2-(4-pyridyl)phenyl)-naphthalenediimide (156 mg, 0.26 mmol) and 1,4-bis(bromomethyl)tetrafluorobenzene (87 mg, 0.26 mmol) were stirred in acetonitrile at 60 °C for 4 h under nitrogen protection. The yellow precipitate was collected by vacuum filtration and dissolved in water. When a saturated aqueous solution of ammonium hexafluorophosphate was added to the reaction mixture, the resulting precipitate was filtered off and then washed with deionized water. The precipitate was dried to afford yellowish solids. Single crystals were grown by slow diffusion of diethyl ether into an acetonitrile solution over 7 days of 72,73,75,76-tetrafluoro-25,44-dimethyl-31,33,36,38-tetraoxo-31,32,33,36,37,38-hexahydro-3(2,7)-benzo[lmn][3,8]phenanthrolina-1,5(4,1)-dipyridin-1-iuma-2,4(1,2),7(1,4)-tribenzenacyclooctaphane-11,51-diium hexafluoridophosphate.

2 Experimental details

The crystal structure was determined using the Shelxt program 2 and subsequently underwent refinement via the Shelxl tools 3 available in the Olex2 suite. 4 The hydrogen atoms were placed in idealized positions and allowed to ride on the relevant carbon atoms.

3 Comment

Macrocyclic hosts with cavities are the major workhorses in supramolecular chemistry, 5 and they can play a central role in molecular recognition 6 and be used to construct complex systems such as molecular machines 7 and other ‘smart’ materials. 8 Despite many recent advances in the development of new macrocyclic hosts, 9 their rational design remains a great challenge, due to low yields and tedious purifications. It is known that structural preorganization of building blocks facilitates the ring-closure process for constructing macrocyclic structures. 10 Herein, an syn-atropisomer based on naphthalene diimide (NDI) can be employed as a preorganized precursor to rationally construct a dicationic organic macrocycle, and the crystallographic structure of this macrocycle in the form of hexafluorophosphate salt has been elucidated.

The title compound crystallizes in the monoclinic space group P21/n with one whole macrocycle molecule in the asymmetric unit (see the figure). As depicted in the graphical representation, this macrocycle is composed of an NDI skeleton, a tetrafluorobenzene linker and two lateral pyridinium groups, exhibiting an anticipated trapezoid-shape box-like structure. The centroid–centroid separation of the parallel NDI and phenyl units is ~6.1 Å, which is sufficient to accommodate planar molecules via face-to-face π–π stacking. 11 , 12 , 13 The crystal lattice also contains two counter anions hexafluorophosphate. Bond lengths and angles are all in the normal range, and are very similar to those given in the literature. 12 , 13 , 14 In addition, the hexafluorophosphate ions interact with the electron-deficient NDI and tetrafluorobenzene rings via anion-p interactions, wherein the distances between F and centroid are 3.0322(1), 3.0537(1) and 3.0799(1) Å, which are all typical for anion-π interactions. 15

Corresponding author: Wei Wei, Department of Chemistry, Beijing Key Laboratory for Optical Materials and Photonic Devices, Capital Normal University, Beijing, 100048, China, E-mail:

  1. Author contribution: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Conflict of interest: The authors declare no conflicts of interest regarding this article.

  3. Research funding: The Beijing Natural Science Foundation (2232027 and 2242004) and the National Natural Science Foundation of China (22171021).

References

1. Bruker. SAINT, APEX2 and SADABS; Bruker AXS Inc.: Madison, WI, USA, 2012.Search in Google Scholar

2. Sheldrick, G. M. SHELXTL – Integrated Space-Group and Crystal-Structure Determination. Acta Crystallogr. 2015, A71, 3–8.10.1107/S2053273314026370Search in Google Scholar PubMed PubMed Central

3. Sheldrick, G. M. Crystal Structure Refinement with SHELXL. Acta Crystallogr. 2015, C71, 3–8; https://doi.org/10.1107/s2053229614024218.Search in Google Scholar

4. Dolomanov, O. V.; Bourhis, L. J.; Gildea, R. J.; Howard, J. A. K.; Puschmann, H. OLEX2: A Complete Structure Solution, Refinement and Analysis Program. J. Appl. Crystallogr. 2009, 42, 339–341; https://doi.org/10.1107/s0021889808042726.Search in Google Scholar

5. Davis, F.; Higson, S. Macrocycles: Construction, Chemistry and Nanotechnology Applications; Wiley VCH: Chichester, 2011.10.1002/9780470980200Search in Google Scholar

6. Steed, J. W.; Atwood, J. L. Supramolecular Chemistry, 2nd ed.; Wiley: Chichester, 2009.10.1002/9780470740880Search in Google Scholar

7. Stoddart, J. F. Mechanically Interlocked Molecules (MIMs)—Molecular Shuttles, Switches, and Machines (Nobel Lecture). Angew. Chem., Int. Ed. 2017, 56, 11094–11125; https://doi.org/10.1002/anie.201703216.Search in Google Scholar PubMed

8. Dong, S.; Zheng, B.; Wang, F.; Huang, F. Supramolecular Polymers Constructed from Macrocycle-Based Host-Guest Molecular Recognition Motifs. Acc. Chem. Res. 2014, 47, 1982–1994; https://doi.org/10.1021/ar5000456.Search in Google Scholar PubMed

9. Liu, Z.; Nalluri, S. K. M.; Stoddart, J. F. Surveying Macrocyclic Chemistry: From Flexible Crown Ethers to Rigid Cyclophanes. Chem. Soc. Rev. 2017, 46, 2459–2478; https://doi.org/10.1039/c7cs00185a.Search in Google Scholar PubMed

10. Martι-Centelles, V.; Pandey, M. D.; Burguete, M. I.; Luis, S. V. Macrocyclization Reactions: The Importance of Conformational, Configurational, and Template-Induced Preorganization. Chem. Rev. 2015, 115, 8736–8834; https://doi.org/10.1021/acs.chemrev.5b00056.Search in Google Scholar PubMed

11. Yang, F.; Li, R.; Wei, W.; Ding, X.; Xu, Z.; Wang, P.; Wang, G.; Xu, Y.; Fu, H.; Zhao, Y. Water-Soluble Doubly-Strapped Isolated Perylene Diimide Chromophore. Angew. Chem., Int. Ed. 2022, 61, e202202491; https://doi.org/10.1002/anie.202202491.Search in Google Scholar PubMed

12. Yang, F.; Liu, C.; Yin, D.; Xu, Y.; Wu, M.; Wei, W. Atropisomer-based Construction of Macrocyclic Hosts That Selectively Recognize Tryptophan from Standard Amino Acids. Chem. Commun. 2019, 55, 14335; https://doi.org/10.1039/c9cc07646h.Search in Google Scholar PubMed

13. Yang, F.; Li, Y.; Li, R.; Wang, X.; Cui, X.; Wei, W.; Xu, Y. Fine-Tuning Macrocycle Cavity to Selectively Bind Guests in Water for Near-Infrared Photothermal Conversion. Org. Chem. Front. 2022, 9, 2902–2909; https://doi.org/10.1039/d2qo00443g.Search in Google Scholar

14. Li, R.; Yang, F.; Zhang, L.; Li, M.; Wang, G.; Wang, W.; Xu, Y.; Wei, W. Manipulating Host-Guest Charge Transfer of a Water-Soluble Double-Cavity Cyclophane for NIR–II Photothermal Therapy. Angew. Chem., Int. Ed. 2023, 62, e202301267; https://doi.org/10.1002/ange.202301267.Search in Google Scholar

15. Wang, D.-X.; Wang, M.-X. Exploring Anion-Πi Interactions and Their Applications in Supramolecular Chemistry. Acc. Chem. Res. 2020, 53, 1364–1380; https://doi.org/10.1021/acs.accounts.0c00243.Search in Google Scholar PubMed

Received: 2024-07-09
Accepted: 2024-10-10
Published Online: 2024-10-31
Published in Print: 2025-02-25

© 2024 the author(s), published by De Gruyter, Berlin/Boston

This work is licensed under the Creative Commons Attribution 4.0 International License.

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  43. The crystal structure of (3′-(2-bromophenyl)-2-phenyl-[2,2′-bioxiran]-3-yl)(phenyl)methanone, C92H68O12Br4
  44. Crystal structure of ethyl 4-(4-benzylpiperazin-1-yl)benzoate, C20H24N2O2
  45. The crystal structure of bis(selenocyanato-κ1 N)-bis(methanol)-bis((1E,2E)-1,2-bis (1-(pyridin-4-yl)ethylidene)-hydrazine)iron(II) methanol solvate, C34H44FeN10O4Se2
  46. Crystal structure of (E)-1-(5-bromo-2-hydroxyphenyl)-3-(5-(4-methoxyphenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one, C26H21BrN2O4
  47. The crystal structure of methyl 4-(4-(methylsulfonyl)phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C19H21NO5S
  48. Crystal structure of 1′,3′-dihydro-2,2′-spirobi[indene]-1,3-dione, C17H12O2
  49. Crystal structure of (E)-2,2′,3,3′-tetrahydro-[1,1′-biindenylidene]-4,4′-diol, C18H16O2
  50. Crystal structure of di-glycylglycinium squarate dihydrate, C12H22N4O12, at 105 K
  51. Crystal structure of {[(4-fluorophenyl)methyl]triphenylphosphonium}dibromocopper(I), [C25H21FP]+[CuBr2]−
  52. Crystal structure of poly[diaqua-bis(μ2-5-((pyridin-4-yl-methyl)amino)benzene-1,3-dicarboxylato-κ 2 N:O)cadmium(II)], C28H26CdN4O10
https://doi.org/10.1515/ncrs-2024-0290
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Articles in the same Issue

  1. Frontmatter
  2. New Crystal Structures
  3. Crystal structure of the co-crystal 2,4,6-triamino-1,3,5-triazine-1,3-dioxide — acetic acid (1/2) C7H14N6O6
  4. Crystal structure of the dinuclear mercury(II) complex bis(μ2-bromido)-dibromido-bis{1-[(benzotriazol-1-yl)methyl]-1-H-1,3-(2-ethyl-5-methyl-imidazol)-κ1 N} dimercury(II), C26H30N10Hg2Br4
  5. Crystal structure of poly[hexaqua-pentakis(μ4-2,2′-bipyridine-4,4′-dicarboxylato-κ4 O:O′:O″:O‴)-(μ2-2,2′-bipyridine-4,4′-dicarboxylato-κ2 O:O)tetraytterbium(III)] hydrate, C36H26N6O16Yb2
  6. Hydrothermal synthesis and crystal structure of catena-poly[(1,10-phenanthroline-κ 2 N,N′)-bis(μ 2-nitroisophthalato-κ 3 O,O′:O″)nickel(II)], C20H13NiN3O7
  7. Crystal structure of 72,73,75,76-tetrafluoro-25,44-dimethyl-31,33,36,38-tetraoxo-31,32,33,36,37,38-hexahydro-3(2,7)-benzo[lmn][3,8]phenanthrolina-1,5(4,1)-dipyridin-1-iuma-2,4(1,2),7(1,4)-tribenzenacyclooctaphane-11,51-diium hexafluoridophosphate, [C46H28F4N4O4][PF6]2, a dicationic cyclophane
  8. Crystal structure of (E)-2-(4-(1H-imidazol-1-yl)benzylidene)-7-fluoro-3,4-dihydronaphthalen-1(2H)-one, C20H15FN2O
  9. The salt crystal structure of etoricoxib hydrochloride, C18H16Cl2N2O2S
  10. The structure of t-butyl 7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate, C37H43FN2O5
  11. The crystal structure of (μ4-oxo)-tri(μ4-2,2′-bipyridine-6,6′-bis(olato)-κ5 O,O′:N:N′:O″)tetrazinc(II) – methylformamide (1/1), C33H25N7O8Zn4
  12. The co-crystal structure of 4-chlorobenzophenone–salicylhydrazide(1/1), C20H17ClN2O3
  13. Crystal structure of 9-fluoro-4-(6-methoxypyridin-2-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine, C18H15FN4O
  14. The crystal structure of the co-crystal composed of benzhydrazide and 5-aminoisophthalic acid, C8H7NO4⋅C7H8N2O
  15. The cocrystal structure of praziquantel-hesperetin (1/1), C35H38N2O8
  16. Crystal structure of new barium manganese fluorides dihydrates, Ba10Mn2F25·2H2O
  17. The crystal structure of bis[μ2-(3-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)propanoate-κ2O:N)-bis(2,2′-bipyridine-κ2 N, N′)dicopper(II)]dinitrate, C42H36Cu2N12O10
  18. Crystal structure of (3,6-di(2-pyridyl)-4-phenylaminopyridazine-κ2N,N′)-bis(2-(p-toluene)pyridinyl-κ2C,N)-iridium(III) hexafluorophosphate –dichloromethane (1/1), C45H37Cl2F6IrN7P
  19. The crystal structure of 2-(2′-carboxybenzyl)benzoic acid, C15H12O5
  20. The crystal structure of dichlorido-[(E)-N′,N″-bis((2E,3E)-3-(hydroxyimino)butan-2-ylidene)-2-((E)-3-(hydroxyimino)butan-2-ylidene)hydrazine-1-carbohydrazonhydrazide-κ 4 N 4]cobalt(II), C13H22N9O3Cl2Co
  21. Crystal structure of (−)-flavesine H, C15H22N2O2
  22. Crystal structure of 3-methoxybenzyl 2-(6-methoxynaphthalen-2-yl)propanoate, C22H22O4
  23. Crystal structure of dicarbonyl(2-oxopyridin-1(2H)-olato-κ 2 O,O)iridium(I), C7H4IrNO4
  24. The crystal structure of 4-(3-(triphenylphosphonio)propyl)piperazin-1-ium dibromide trihydrate, C25H37Br2N2O3P
  25. The crystal structure of ethyl 5,6-dihydroxybenzofuran-3-carboxylate, C11H10O5
  26. Crystal structure of 14-(R)-(2′-cyano-phenoxy)-3,19-diacetyl andrographolide, C31H37NO7
  27. The twinned crystal structure of 10-(4-methyl benzoate)-2,8-diethyl-5,5-difluoro-1,3,7,9-tetramethyl-5H-di-pyrrolo[1,2-c:2′,1′-f] [1,3,2]diazaborinin-4-ium-5-uide, C25H29BF2N2O2
  28. The crystal structure of (9H-thioxanthen-9- ylidene)hydrazine monohydrate, C13H11N2SO0.5
  29. The crystal structure of pyridinium diaqua-{1,2-phenylenebis((carboxylatocarbonyl)amido-κ4 N,N′,O,O′)manganese(III), C15H14MnN3O8
  30. Crystal structure of the hydrogen storage active high entropy phase Tb0.82Sm0.18Ni0.83Co0.17Mg
  31. Crystal structure of diaqua-bis[5-methyl-1-(1H-pyrazol-3-yl)-1H-1,2,3-triazole-4-carboxylato-κ 2 N,O)]manganese(II), C14H16MnN10O6
  32. Crystal structures of diiodido-3-((pyridin-2-ylmethylene)amino)-2-(pyridin-3-yl)-2,3-dihydroquinazolin-4(1H)-one-cadmium(II)
  33. Synthesis and crystal structure of methyl 4-(2-ethoxy-2-oxoethoxy)-3,5-dimethoxybenzoate, C14H18O7
  34. Crystal structure of isoxazolo[4,5-b]pyridin-3-amine, C6H5N3O
  35. Crystal structure of 4-chloro-1-isobutyl-1H-imidazo, C14H14ClN3
  36. The crystal structure of 1,1,1,2,2,2-hexakis(2-methyl-2-phenylpropyl)distannane,C60H78Sn2
  37. The crystal structure of (2,7-dimethoxynaphthalene-1,8-diyl)bis((3-nitrophenyl)methanone), C26H18N2O8
  38. Crystal structure of diaqua-tetra((E)-(RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol-κ 1 N)zinc(II) dinitrate dihydrate, C60H76Cl8N14O14Zn
  39. The crystal structure of diphenyl bis(2-((diphenoxyphosphoryl)amino)ethyl)phosphoramidate monohydrate C40H42N3O10P3
  40. Crystal structure of 4,4′-bis(dibromomethyl)-1,1′-biphenyl, C14H10Br4
  41. Crystal structure of CaPtZn
  42. Crystal structure of 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid, C7H3ClF3NO2
  43. The crystal structure of (3′-(2-bromophenyl)-2-phenyl-[2,2′-bioxiran]-3-yl)(phenyl)methanone, C92H68O12Br4
  44. Crystal structure of ethyl 4-(4-benzylpiperazin-1-yl)benzoate, C20H24N2O2
  45. The crystal structure of bis(selenocyanato-κ1 N)-bis(methanol)-bis((1E,2E)-1,2-bis (1-(pyridin-4-yl)ethylidene)-hydrazine)iron(II) methanol solvate, C34H44FeN10O4Se2
  46. Crystal structure of (E)-1-(5-bromo-2-hydroxyphenyl)-3-(5-(4-methoxyphenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one, C26H21BrN2O4
  47. The crystal structure of methyl 4-(4-(methylsulfonyl)phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C19H21NO5S
  48. Crystal structure of 1′,3′-dihydro-2,2′-spirobi[indene]-1,3-dione, C17H12O2
  49. Crystal structure of (E)-2,2′,3,3′-tetrahydro-[1,1′-biindenylidene]-4,4′-diol, C18H16O2
  50. Crystal structure of di-glycylglycinium squarate dihydrate, C12H22N4O12, at 105 K
  51. Crystal structure of {[(4-fluorophenyl)methyl]triphenylphosphonium}dibromocopper(I), [C25H21FP]+[CuBr2]−
  52. Crystal structure of poly[diaqua-bis(μ2-5-((pyridin-4-yl-methyl)amino)benzene-1,3-dicarboxylato-κ 2 N:O)cadmium(II)], C28H26CdN4O10
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