Home The crystal structure of 3-amino-5-carboxypyridin-1-ium iodide, C6H7IN2O2
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The crystal structure of 3-amino-5-carboxypyridin-1-ium iodide, C6H7IN2O2

  • Mengbing Cui ORCID logo EMAIL logo , Yong Li , Heng Chen , Hui Wang and Yan Zeng ORCID logo
Published/Copyright: May 12, 2022
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Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 237 Issue 4

Abstract

C6H7BrN2O2, triclinic, P 1 ‾ (no. 2), a = 7.4522(4) Å, b = 7.4741(5) Å, c = 8.3144(5) Å, α = 90.036(3)°, β = 99.808(3)°, γ = 117.724(2)°, V = 402.25(4) Å3, Z = 2, R gt (F) = 0.0156, wR ref (F2) = 0.0367, T = 150.0 K.

CCDC no.: 2168606

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: Yellow block
Size: 0.20 × 0.15 × 0.10 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 3.93 mm−1
Diffractometer, scan mode: Bruker APEX-II, φ and ω
θmax, completeness: 26.4°, >99%
N(hkl)measured, N(hkl)unique, Rint: 8304, 1656, 0.028
Criterion for Iobs, N(hkl)gt: Iobs > 2 σ(Iobs), 1583
N(param)refined: 102
Programs: Bruker [1], Olex2 [2], SHELX [3, 4]
Table 2:

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

Atom x y z Uiso*/Ueq
C1 0.8119 (4) 0.7150 (4) 0.2517 (3) 0.0161 (5)
C2 0.6551 (3) 0.7259 (3) 0.3367 (3) 0.0140 (4)
C3 0.4644 (4) 0.6912 (4) 0.2493 (3) 0.0169 (5)
H3 0.428817 0.659204 0.133927 0.020*
C4 0.7037 (3) 0.7709 (4) 0.5048 (3) 0.0154 (5)
H4 0.834881 0.794433 0.563597 0.019*
C5 0.3704 (4) 0.7457 (4) 0.4957 (3) 0.0179 (5)
H5 0.268128 0.750234 0.547437 0.021*
C6 0.5610 (4) 0.7820 (4) 0.5894 (3) 0.0155 (5)
I1 0.12489 (2) 0.78034 (2) 0.87556 (2) 0.01748 (6)
N1 0.3326 (3) 0.7044 (3) 0.3329 (3) 0.0188 (4)
H1 0.212402 0.684639 0.277168 0.023*
N2 0.6044 (3) 0.8273 (4) 0.7538 (3) 0.0256 (5)
H2A 0.489634 0.795466 0.790863 0.031*
H2B 0.662993 0.756820 0.801785 0.031*
O1 0.7437 (3) 0.6601 (3) 0.0936 (2) 0.0197 (4)
H1A 0.843744 0.685455 0.047467 0.030*
O2 0.9831 (3) 0.7531 (3) 0.3249 (2) 0.0241 (4)

Source of material

An amount of 1.38 g 5-aminonicotinic acid was added to 15 mL 30% hydroiodic acid solution and stirred for 10 min at room temperature; then filtered. The filtrate was allowed to evaporate in open air. Yellow crystals were obtained after five days, yield 69% (based on 5-aminonicotinic acid).

Experimental details

The structure was solved by direct methods with the SHELXS program. All H-atoms from C and N atoms were positioned with idealized geometry (Uiso(H) = 1.2Ueq(C) and Uiso(H) = 1.2Ueq(N)) using a riding model with C–H = 0.95 Å and N–H = 0.88 to 0.885 Å. Also the H atom at O1 was included using a riding model with the O–H distance of 0.84 Å(Uiso(H) = 1.5Ueq(O)).

Comment

Aminonicotinic acid and its derivatives can act as organic ammonium cations with inorganic anions to make organic ammonium salts, such as 2-amino-3-carboxypyridin-1-ium salts [5], [6], [7] and 3-amino-5-carboxypyridin-1-ium salts [8], [9], [10], [11], [12], [13], [14], [15], [16]. To the best of our knowledge, except some 3-aminonicotinic acid containing metal complexes [17], [18], [19], [20], [21], [22], only one example of a 3-aminonicotinic acid based salt, the 3-amino-5-carboxypyridin-1-ium perchlorate monohydrate, has been reported [22]. Thus, we report the crystal structure of 3-amino-5-carboxypyridin-1-ium iodide.

The asymmetric unit of the title structure is made of one 3-amino-5-carboxypyridin-1-ium cation and one idodide anion. The N atom from the pyridine ring is protonated, while the NH2 group keeps as it is. The organic cations are linked by hydrogen bonds N1–H1A⃛O2 to generate one-dimensional chains, further forming two-dimensional double planes by the hydrogen bond N2–H2B⃛O1 and C3–H3⃛O1, and finally building a three-dimensional supramolecular structure by weak π⃛π and H⃛I interactions. The iodide anion is regulated by weak interactions O1–H1⃛I1, N2–H2A⃛I1, C5–H5⃛I1, and C7–H7⃛I1. All bondlengths are normal and comparable with the reported results [15, 22].

Corresponding author: Mengbing Cui, School of Pharmacy, Xinxiang University, Xinxiang, Henan 453003, P. R. China, E-mail:

Funding source: National Natural Science Foundation of China

Award Identifier / Grant number: 21706226

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

  2. Research funding: We thank for financial supports from the National Natural Science Foundation of China (No. 21706226).

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

References

1. Bruker. SAINT v8.37A. Bruker AXS Inc: Madison, Wisconsin, USA, 2015.Search in Google Scholar

2. Bourhis, L. J., Dolomanov, O. V., Gildea, R. J., Howard, J. A. K., Puschmann, H. The anatomy of a comprehensive constrained, restrained refinement program for the modern computing environment–Olex2 dissected. Acta Crystallogr. 2015, A71, 59–75; https://doi.org/10.1107/s2053273314022207.Search 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. Sheldrick, G. Using phases to determine the space group. Acta Crystallogr. 2018, A74, a353; https://doi.org/10.1107/s0108767318096472.Search in Google Scholar

5. Dhaouadi, H., Marouani, H., Rzaigui, M., Madani, A. Crystal structure and investigation of an organic phosphate. Phosphorus, Sulfur Silicon Relat. Elem. 2008, 182, 2587–2603.10.1080/10426500701512026Search in Google Scholar

6. Wang, J.-W., Zhang, Y.-W., Wang, M.-X., Luo, Y.-H., Sun, B.-W. Assembly of 6-aminonicotinic acid and inorganic anions into different dimensionalities: crystal structure, absorption properties and Hirshfeld surface analysis. Polyhedron 2017, 124, 243–250; https://doi.org/10.1016/j.poly.2016.12.045.Search in Google Scholar

7. Zeng, Y., Du, C.-J. The crystal structure of 2-amino-5-carboxypyridin-1-ium iodide monohydrate, C6H9IN2O3. Z. Kristallogr. N. Cryst. Struct. 2021, 236, 735–736; https://doi.org/10.1515/ncrs-2021-0059.Search in Google Scholar

8. Berrah, F., Bouacida, S., Roisnel, T. 2–Amino-3-carboxypyridinium nitrate. Acta Crystallogr. 2011, E67, o2057–o2058; https://doi.org/10.1107/s1600536811027978.Search in Google Scholar

9. Berrah, F., Ouakkaf, A., Bouacida, S., Roisnel, T. Bis(2-amino-3carboxypyridinium) sulfate trihydrate. Acta Crystallogr. 2011, E67, o953–o954; https://doi.org/10.1107/s1600536811010191.Search in Google Scholar PubMed PubMed Central

10. Bouchene, R., Bouacida, S., Berrah, F., Daran, J.-C. 2–Amino-3-carboxypyridinium chloride hemihydrate. Acta Crystallogr. 2012, E68, o1493–o1494; https://doi.org/10.1107/s1600536812017230.Search in Google Scholar PubMed PubMed Central

11. Akriche, S., Rzaigui, M. 2–Amino-3-carboxypyridinium dihydrogenphosphate. Acta Crystallogr. 2007, E63, o3460; https://doi.org/10.1107/s1600536807032862.Search in Google Scholar

12. Berrah, F., Bouacida, S., Anana, H., Roisnel, T. 2–Amino-3-carboxypyridinium perchlorate. Acta Crystallogr. 2012, E68, o1601–o1602; https://doi.org/10.1107/s1600536812018922.Search in Google Scholar PubMed PubMed Central

13. Wang, D.-X., Liu, H.-B., Chen, Y.-G., Wei, S. Protonated 2-aminonicotinic acid as charge complement in POM-based inorganic-organic hybrids: synthesis, crystal structure and characterization. J. Cluster Sci. 2015, 26, 1567–1576; https://doi.org/10.1007/s10876-015-0851-4.Search in Google Scholar

14. Ma, Y.-H., Ge, S.-W., Shen, Y., Sun, B.-W. Novel perchlorate and sulphate salts of 2-aminonicotinic acid: synthesis, characterization, thermal studies and Hirshfeld surface analysis. Chin. J. Struct. Chem. 2016, 35, 7–15.Search in Google Scholar

15. Huang, G. The crystal structure of 2-amino-3-carboxypyridin-1-ium iodide hemihydrate, C6H8IN2O2.5. Z. Kristallogr. N. Cryst. Struct. 2021, 236, 1021–1022; https://doi.org/10.1515/ncrs-2021-0204.Search in Google Scholar

16. Giantsidis, J., Turnbull, M. M. 6–Amino-nicotinic acid hydrochloride. Acta Crystallogr. 2000, C56, 334–335; https://doi.org/10.1107/s0108270199014821.Search in Google Scholar PubMed

17. Pei, Y., Ge, Z.-W., Liu, P.-W., Chen, J. Structural diversity and solid-state properties of CoII and ZnII coordination complexes with 5-aminonicotinate through metal direction. J. Coord. Chem. 2013, 66, 3305–3313.10.1080/00958972.2013.834334Search in Google Scholar

18. Zhang, C.-L., Qin, L., Zheng, H.-G. Synthesis, crystal structure and optical properties of zinc coordination polymer from 5-aminonicotinic acid ligand. Chin. J. Inorg. Chem. 2014, 30, 800–804.Search in Google Scholar

19. Zhou, Y.-Y., Geng, B., Zhang, Z.-W., Bo, Q.-B. Synthesis, structures and photoluminescence of three d10 5-aminonicotinate and 5-aminoisophthalate coordination polymers with bilayer structures. Inorg. Chim. Acta 2016, 444, 150–158; https://doi.org/10.1016/j.ica.2016.02.001.Search in Google Scholar

20. Jiang, Y.-H., Wu, W.-P., Yang, G.-P., Jin, J.-C., Xi, Z.-P., Wang, Y.-Y. Syntheses and structures of three transition metal coordination polymers based on 5-aminonicotinic acid. J. Mol. Struct. 2015, 1091, 25–30; https://doi.org/10.1016/j.molstruc.2015.02.054.Search in Google Scholar

21. Hou, S.-L., Dong, J., Jiang, X.-L., Jiao, Z.-H., Zhao, B. A noble-metal-free metal-organic framework (MOF) catalyst for the highly efficient conversion of CO2 with propargylic alcohols. Angew. Chem. Int. Ed. 2019, 58, 577–581; https://doi.org/10.1002/anie.201811506.Search in Google Scholar PubMed

22. Hou, S., Ren, P., Zeng, Y. The crystal structure of 3-amino-5-carboxypyridin-1-ium perchlorate monohydrate, C6H9ClN2O7. Z. Kristallogr. N. Cryst. Struct. 2021, 236, 727–728; https://doi.org/10.1515/ncrs-2021-0062.Search in Google Scholar
Received: 2022-04-02
Accepted: 2022-04-25
Published Online: 2022-05-12
Published in Print: 2022-08-26

© 2022 Mengbing Cui et al., published by De Gruyter, Berlin/Boston

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

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  76. The crystal structure of dimethylammonium 8-[(7,9-dioxo-6,10-dioxaspiro[4.5]decan-8-ylidene)methyl]-9-oxo-6,10-dioxaspiro[4.5]dec-7-en-7-olate, C19H25NO8
  77. Crystal structure of (2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-((1-acetyl-5-bromo-4-chloro-1H-indol-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate hemihydrate C24H25BrClNO11
  78. The crystal structure of the co-crystal tetrakis[2-(tris(4-methoxyphenyl)stannyl)ethyl]silane – tetrahydrofuran – toluene – tetrahydrofurane (1/1/1), C103H116O13SiSn4
  79. Crystal structure of methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate, C16H13NO4
  80. Crystal structure of ethyl (Z)-3-amino-2-cyano-3-(2-oxo-2H-chromen-3-yl)acrylate, C15H12N2O4
  81. Crystal structure of methyl 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate, C15H11NO4
  82. Crystal structure of catena-poly[diaqua-bis(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2N:N′)cobalt(II)] tetrafluoroterephthalate, C26H28N8O6F4Co
https://doi.org/10.1515/ncrs-2022-0168
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Articles in the same Issue

  1. Frontmatter
  2. New Crystal Structures
  3. Crystal structure of N-((3s,5s,7s)-adamantan-1-yl)-2-(3-benzoylphenyl)propanamide, C26H29NO2
  4. The crystal structure of bis(μ2-5-chloro-2-oxido-N-(1-oxidopropylidene)benzohydrazonato-κ5 N,O,O′:N′,O′′)-octakis(pyridine-κ1 N)trinickel(II) C60H56Cl2N12Ni3O6
  5. The crystal structure of 3-(4-chlorophenyl)-1,5-di-p-tolylpentane-1,5-dione, C25H23ClO2
  6. The crystal structure of 2,4,4-triphenyl-4H-benzo[b][1,4]oxaphosphinin-4-ium bromide – dichloromethane (1/1), C27H22BrCl2OP
  7. The crystal structure of 2-(3,6-di-tert-butyl-1,8-diiodo-9H-carbazol-9-yl)acetonitrile, C22H24I2N2
  8. Crystal structure of 3-phenylpropyl 2-(6-methoxynaphthalen-2-yl)propanoate, C23H24O3
  9. The crystal structure of (4-fluorophenyl)(5-(hydroxymethyl)furan-2-yl)methanol, C12H11FO3
  10. Crystal structure of the dihydrate of tetraethylammonium 1,3,5-thiadiazole-5-amido-2-carbamate, C11H27N5O4S
  11. Crystal structure of (Z)-4-[(p-tolylamino)(furan-2-yl)methylene]-3-phenyl-1-1-p-tolyl-1H-phenyl-1H-pyrazol-5(4H)-one, C28H23N3O2
  12. The crystal structure of (E)-3-(2-chlorophenyl)-1-ferrocenylprop-2-en-1-one, C19H15ClFeO
  13. The pseudosymmetric crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium hexachloridostannate(IV), C10H16N2SnCl6
  14. Crystal structure of (2-(1-hydroxyheptyl)octahydro-8aH-chromene-5,8,8a-triol), C16H30O5
  15. The crystal structure of N-cyclohexyl-3-hydroxy-4-methoxybenzamide, C14H19NO3
  16. Crystal structure of 1-(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol from Arundina graminifolia, C22H20O4
  17. The crystal structure of N-cyclopentyl-3-hydroxy-4-methoxybenzamide, C13H17NO3
  18. The crystal structure of 2,5,5-triphenyl-3,5-dihydro-4H-imidazol-4-one, C21H16N2O
  19. Crystal structure of 1H-1,2,3-Triazolo[4,5-b]-pyridin-4-ium nitrate, C5H5N5O3
  20. Crystal structure of (Z)-4-(((4-bromophenyl)amino)(furan-2-yl)methylene)-2,5-diphenyl-2,4-dihydro-3H-pyrazol-3-one, C26H18BrN3O2
  21. Crystal structure of 2-(4-methoxyphenyl)-3-methyl-1,8-naphthyridine, C16H14N2O
  22. The crystal structure of 3-([1,1′-biphenyl]-2-yl)-1,2-diphenylbenzo[b]phosphole-1-oxide, C32H23OP
  23. The crystal structure of ammonium (E)-4-((4-carboxyphenyl)diazenyl)benzoate, C14H13N3O4
  24. Crystal structure of bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane sulfate, C5H10N8O4S
  25. The crystal structure of phenantroline-κ2 N,N′-bis(6-phenylpyridine-2-carboxylato-κ2 N,O)copper(II), C36H24N4O4Cu
  26. The crystal structure of tris(6-methylpyridin-2-yl)phosphine oxide, C18H18N3OP
  27. The crystal structure of N-(2′-hydroxymethyl-5′-phenyl-3′,4′-dihydro-[1,1′:3′,1″-terphenyl]- 1′(2′H)-yl)-P,P-diphenylphosphinic amide, C37H34NO2P
  28. Crystal structure of (E)-4-(6-(4-(2-(pyridin-4-yl)vinyl)phenoxy)pyrimidin-4-yl)morpholine, C21H20N4O2
  29. Crystal structure of 5-(adamantan-1-yl)-3-[(4-trifluoromethylanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione, C20H22F3N3OS
  30. Crystal structure of 2,2-dichloro-1-(4-chloro-1H-indol-1-yl)ethan-1-one, C10H6Cl3NO
  31. The crystal structure of 4-(((3-bromo-5-(trifluoromethyl)pyridin-2-yl)oxy)methyl)benzonitrile, C28H16Br2F6N4O2
  32. The crystal structure of 1H-benzimidazole-2-carboxamide, C8H7N3O
  33. The crystal structure of Histidinium hydrogensquarate, C10H11N3O6
  34. The crystal structure of 3-amino-5-carboxypyridin-1-ium iodide, C6H7IN2O2
  35. Crystal structure of (E)-amino(2-(3-ethoxy-4-hydroxybenzylidene)hydrazineyl)methaniminium nitrate hemihydrate C10H16N5O5.5
  36. Crystal structure of 1,2-bis(4,5-dinitro-1H-imidazol-1-yl)ethane, C8H6N8O8
  37. The crystal structure of diaqua-bis(pyrazolo[1,5-a]pyrimidine-3-carboxylato-κ2N,O)manganese(II), C14H12N6O6Mn
  38. The crystal structure of catena-poly[aqua-2,2′bipyridine-κ2N,N′-(μ2-5-ethoxyisophthalato-κ 4O,O′:Oʺ,O′ʺ)cadmium(II)] monohydrate, C20H20CdN2O7
  39. The crystal structure of (1S,3R)-1-(4-isopropylphenyl)-3-(methoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-iumchloride monohydrate, C22H27ClN2O3
  40. Crystal structure of 1-isopropyl-3-(prop-1-en-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, C11H15N5
  41. The crystal structure of (2,2′-bipyridine-κ2N,N′)- bis(6-phenylpyridine-2-carboxylate-κ2N,O)manganese(II)] monohydrate, C34H26N4O5Mn
  42. Crystal structure of the cocrystal 1,3,5,7-tetranitro-1,3,5,7-tetrazoctane ─ 2,3-dihydroindole (1/1), C12H17N9O8
  43. Crystal structure of 3-acetyl-6-hydroxy-2H-chromen-2-one monohydrate, C11H10O5
  44. Crystal structure of 6,9-diamino-2-ethoxyacridinium 3,5-dinitrobenozate — dimethylsulfoxide — water (1/1/1), C24H27N5O9S
  45. The crystal structure of 4,4′-bipyridinium bis-(2-hydroxy-3-methoxybenzoate), 2(C8H7.68O4)·C10H8.64N2
  46. Crystal structure of (Z)-4-(((4-fluorophenyl)amino)(furan-2-yl)methylene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
  47. The crystal structure of bis(4-chloro-2-(((2-chloroethyl)imino)methyl)phenolato-κ2N,O)-oxidovanadium(IV), C18H16Cl4N2O3V
  48. The crystal structure of 17-(bromoethynyl)-17-hydroxy-10, 13-dimethyl- 1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one, C21H27BrO2
  49. The crystal structure of 4-((6-fluoropyridin-2-yloxy)methyl)benzonitrile, C13H9FN2O
  50. Crystal structure of (Z)-2-(1-bromo-2-phenylvinyl)-5-ethyl-2-methyl-1,3-dioxane-5-carboxylic acid, C15H17Br1O4
  51. Crystal structure of catena-poly[tribenzyl-κ1C-(μ2-6-oxidopyridin-1-ium-3-carboxylato-κ2O:O’)tin(IV)-dichloromethane-methanol (1/1/1), C29H31Cl2NO4Sn
  52. Crystal structure of bis{2-(tert-butyl)-6-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2N,O}zinc(II), C40H46N4O4Zn
  53. Crystal structure of diaqua-bis(μ2-2-carboxy-3,4,5,6-tetrafluorobenzoato-κ2O:O′)-bis(phenanthroline-κ2N,N′)-bis(μ2-3,4,5,6-tetrafluorophthalato-κ3O:O,O′)dieuropium(III) – phenanthroline (1/2), C40H19EuF8N4O9
  54. The crystal structure of diaqua-bis(6-phenylpyridine-2-carboxylato-κ2N,O) manganese(II) — water — dimethylformamide (1/2/1), C27H31N3O9Mn
  55. The crystal structure of bis(pyrazolo[1,5-a]pyrimidine-3-carboxylato-κ2N,O)-copper(ii), C14H8N6O4Cu
  56. Crystal structure of poly[(μ2-1-(1-imidazolyl)-4-(imidazol-1-ylmethyl)benzene-κ2N:N′)-(μ3-pyridazine-4,5-dicarboxylate-κ3O:O′:N)]copper(II) hydrate, C19H16CuN6O5
  57. Crystal structure of acrinidinium tetrafluorohydrogenphthalate, C21H11F4NO4
  58. Crystal structure of 2-(1H-pyrazol-3-yl-κN)pyridine-κN-bis(2-(2,4-difluorophenyl)pyridinato-κ2C,N)iridium(III) sesquihydrate, C30H18F4IrN5·1.5[H2O]
  59. Crystal structure of 2-(2-hydroxy-5-nitrophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid, C12H13N1O7
  60. The crystal structure of 1,2-bis(pyridinium-4-yl)ethane diperchlorate, C12H14N2·2ClO4 – a second polymorph
  61. The crystal structure of [(1,10-phenantroline-κ2N,N′)-bis(6-phenylpyridine-2-carboxylato-κ2N,O)manganese(II)] monohydrate, C36H26N4O5Mn
  62. Crystal structure of 1,2-bis(2,2,3,3,5,5,5-heptamethyl-1,1,4,4- tetrakis(trimethylsilyl)pentasilan-1-yl)ditellane, C38H114Si18Te2
  63. Crystal structure of 1,2-bis(2,4-dinitro-1H-imidazol-1-yl)ethane – dimethylformamide (1/1), C11H13N9O9
  64. Crystal structure of (Z)-3-((tert-butylamino) methylene)-2-(2-hydroxynaphthalen-1-yl) chroman-4-one, C24H23NO3
  65. Synthesis and crystal structure of (E)-1-(4-(((E)-3-(tert-butyl)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-ethyl oxime, C21H26N2O2
  66. Crystal structure of the double salt bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane hydrogen oxalate hemioxalate, C8H11N8O6
  67. Hydrothermal synthesis and crystal structure of catena-poly[diaqua-bis(μ2-4-[(4-pyridinylmethyl)amino]benzoato-κ2N:O)cobalt(II)]–1,2bi(4-pyridyl)ethene–water (1/1/1), C50H50N8O8Co
  68. Crystal structure of 3-(3-bromophenyl)-1′,3′-dimethyl-2′H,3H,4H-spiro[furo[3, 2-c]chromene-2,5′-pyrimidine]-2′,4,4′,6′(1′H,3′H) tetraone, C22H15BrN2O6
  69. The crystal structure of poly[aqua-(μ2-4,4′- bis(imidazolyl)biphenyl-κ2N:N′)-(μ2-3-nitrobenzene-1,2-dicarboxylato-κ2O:O′)]copper (II) hydrate, C26H21N5O8Cu
  70. The crystal structure of bis(4-(6-carboxy-8-ethyl-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2- yl)piperazin-1-ium) adipate tetrahydrate, C36H52F2N8O14
  71. Synthesis and crystal structure of poly[aqua(μ4-(1R,2S,4R)-4-hydroxy-1-((7-hydroxy-3-(4-hydroxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)pyrrolidin-1-ium-2-carboxylate-κ4O:O′:O″:O‴)sodium(I)] monohydrate, C21H22NNaO12S
  72. Crystal structure of chlorido-(η6-toluene)(2,2′-bipyridine-κ2N,N′)ruthenium(II) hexafluorophosphate, C17H16ClN2RuPF6
  73. The crystal structure of (R)-6-hydroxy-8-methoxy-3-methylisochroman-1-one, C11H12O4
  74. Crystal structure of catena-poly[(5,5,7,12,12,14-hexamethyl -1,4,8,11-tetraazacyclotetradecane- κ4N,N′,Nʺ,N‴)nickel(II)-(μ2-perchlorato-κ2O:O′)] 3,5-dicarboxybenzoate – methanol (1/2), C27H49ClN4NiO12
  75. The crystal structure of 4-(chloromethyl)benzonitrile, C8H6ClN
  76. The crystal structure of dimethylammonium 8-[(7,9-dioxo-6,10-dioxaspiro[4.5]decan-8-ylidene)methyl]-9-oxo-6,10-dioxaspiro[4.5]dec-7-en-7-olate, C19H25NO8
  77. Crystal structure of (2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-((1-acetyl-5-bromo-4-chloro-1H-indol-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate hemihydrate C24H25BrClNO11
  78. The crystal structure of the co-crystal tetrakis[2-(tris(4-methoxyphenyl)stannyl)ethyl]silane – tetrahydrofuran – toluene – tetrahydrofurane (1/1/1), C103H116O13SiSn4
  79. Crystal structure of methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate, C16H13NO4
  80. Crystal structure of ethyl (Z)-3-amino-2-cyano-3-(2-oxo-2H-chromen-3-yl)acrylate, C15H12N2O4
  81. Crystal structure of methyl 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate, C15H11NO4
  82. Crystal structure of catena-poly[diaqua-bis(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2N:N′)cobalt(II)] tetrafluoroterephthalate, C26H28N8O6F4Co
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