Home Crystal structure of aqua-(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N″,N‴)copper(II) 5-carboxyisophthalate tetrahydrate, C25H50N4CuO11
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Crystal structure of aqua-(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N″,N‴)copper(II) 5-carboxyisophthalate tetrahydrate, C25H50N4CuO11

  • Qin-Guo Quan and Guang-Chuan Ou ORCID logo EMAIL logo
Published/Copyright: December 6, 2023
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Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 239 Issue 1

Abstract

C25H50N4CuO11, triclinic, P 1 ‾ (no. 2), a = 10.553(6) Å, b = 12.099(7) Å, c = 12.674(8) Å, α = 86.258(6)°, β = 78.131(6)°, γ = 81.408(6)°, V = 1564.8(16) Å3, Z = 2, R gt (F) = 0.0332, wR ref (F2) = 0.0927, T = 296(2) K.

CCDC no.: 2309862

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: Red block
Size: 0.54 × 0.36 × 0.23 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 0.76 mm−1
Diffractometer, scan mode: Bruker Smart II, φ and ω
θmax, completeness: 25.0°, >99 %
N(hkl)measured, N(hkl)unique, Rint: 14,435, 5510, 0.039
Criterion for Iobs, N(hkl)gt: Iobs > 2σ(Iobs), 5034
N(param)refined: 405
Programs: Bruker [1], SHELX [2, 3], Diamond [4]
Table 2:

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

Atom x y z Uiso*/Ueq
C1 0.28854 (19) 0.79873 (16) 0.90403 (16) 0.0319 (4)
C2 0.69541 (19) 0.98666 (16) 0.82434 (15) 0.0298 (4)
C3 0.6447 (2) 0.68998 (16) 0.58111 (16) 0.0330 (4)
C4 0.42047 (18) 0.81501 (16) 0.83419 (15) 0.0276 (4)
C5 0.49511 (18) 0.89106 (16) 0.85973 (15) 0.0284 (4)
H5 0.463280 0.934361 0.920000 0.034*
C6 0.61714 (18) 0.90321 (15) 0.79608 (14) 0.0261 (4)
C7 0.66623 (18) 0.83692 (15) 0.70716 (15) 0.0281 (4)
H7 0.748783 0.843223 0.665970 0.034*
C8 0.59251 (19) 0.76142 (16) 0.67966 (15) 0.0283 (4)
C9 0.4685 (2) 0.75240 (16) 0.74220 (15) 0.0304 (4)
H9 0.417470 0.704102 0.722233 0.036*
C10 −0.0092 (2) 0.64633 (19) 0.05765 (17) 0.0387 (5)
H10A 0.022846 0.702884 0.005252 0.046*
H10B −0.052723 0.598441 0.022612 0.046*
C11 0.1031 (2) 0.57814 (18) 0.09890 (17) 0.0378 (5)
H11A 0.072634 0.517114 0.146134 0.045*
H11B 0.168862 0.546872 0.039152 0.045*
C12 0.2716 (2) 0.59687 (19) 0.20711 (19) 0.0422 (5)
H12 0.240225 0.539407 0.260086 0.051*
C13 0.3826 (3) 0.5406 (3) 0.1210 (3) 0.0775 (10)
H13A 0.351473 0.482967 0.088724 0.116*
H13B 0.454346 0.508262 0.153970 0.116*
H13C 0.411231 0.595312 0.066484 0.116*
C14 0.3228 (2) 0.6822 (2) 0.26488 (19) 0.0415 (5)
H14A 0.335616 0.746398 0.215935 0.050*
H14B 0.408182 0.649442 0.277813 0.050*
C15 0.2401 (2) 0.72491 (18) 0.37228 (18) 0.0375 (5)
C16 0.2059 (2) 0.6289 (2) 0.45209 (19) 0.0506 (6)
H16A 0.173034 0.657491 0.522866 0.076*
H16B 0.282832 0.575557 0.453058 0.076*
H16C 0.140419 0.593107 0.430590 0.076*
C17 0.3191 (3) 0.7991 (2) 0.4194 (2) 0.0586 (7)
H17A 0.335329 0.862268 0.371224 0.088*
H17B 0.400897 0.756695 0.428444 0.088*
H17C 0.270572 0.824782 0.488164 0.088*
C18 0.0247 (2) 0.84034 (19) 0.44585 (18) 0.0406 (5)
H18A 0.067392 0.887189 0.482779 0.049*
H18B −0.002855 0.779784 0.495139 0.049*
C19 −0.0922 (2) 0.90827 (18) 0.41023 (18) 0.0386 (5)
H19A −0.156551 0.935126 0.472734 0.046*
H19B −0.065508 0.972472 0.365963 0.046*
C20 −0.2568 (2) 0.90068 (17) 0.29843 (17) 0.0365 (5)
H20 −0.222551 0.964292 0.256104 0.044*
C21 −0.3735 (2) 0.9467 (2) 0.3847 (2) 0.0531 (6)
H21A −0.407918 0.885845 0.428111 0.080*
H21B −0.440097 0.987833 0.350564 0.080*
H21C −0.345643 0.995382 0.429679 0.080*
C22 −0.2999 (2) 0.8287 (2) 0.22259 (19) 0.0425 (5)
H22A −0.378121 0.869058 0.201835 0.051*
H22B −0.324568 0.761623 0.262860 0.051*
C23 −0.2023 (2) 0.79225 (19) 0.11874 (18) 0.0427 (5)
C24 −0.1321 (3) 0.8887 (2) 0.0627 (2) 0.0667 (8)
H24A −0.072006 0.906047 0.104724 0.100*
H24B −0.195195 0.953371 0.056151 0.100*
H24C −0.084950 0.867116 −0.007698 0.100*
C25 −0.2783 (3) 0.7477 (3) 0.0433 (3) 0.0766 (10)
H25A −0.219659 0.725734 −0.022729 0.115*
H25B −0.345864 0.805210 0.028005 0.115*
H25C −0.316926 0.684197 0.077628 0.115*
Cu1 0.00356 (2) 0.73535 (2) 0.25817 (2) 0.02639 (9)
N1 −0.10255 (16) 0.70045 (14) 0.15022 (13) 0.0302 (4)
H1 −0.152791 0.641766 0.185736 0.036*
N2 0.15913 (16) 0.65344 (14) 0.15880 (13) 0.0321 (4)
H2 0.194180 0.709508 0.105871 0.039*
N3 0.11632 (15) 0.79465 (14) 0.34860 (13) 0.0300 (4)
H3 0.146265 0.860518 0.307410 0.036*
N4 −0.14945 (15) 0.83681 (13) 0.34776 (13) 0.0289 (4)
H4 −0.193244 0.786069 0.401888 0.035*
O1 0.21216 (15) 0.75397 (16) 0.86380 (13) 0.0532 (5)
O1W −0.07071 (17) 0.58790 (12) 0.36155 (13) 0.0442 (4)
H1WA −0.026146 0.529506 0.339241 0.066*
H1WB −0.119 (3) 0.593 (2) 0.414 (2) 0.053*
O2 0.26195 (14) 0.82952 (12) 1.00106 (11) 0.0388 (4)
O2W 0.9370 (2) 0.61975 (15) 0.68095 (18) 0.0599 (5)
H2WA 0.882 (3) 0.641 (3) 0.640 (2) 0.072*
H2WB 0.966 (3) 0.672 (3) 0.703 (3) 0.072*
O3 0.62848 (15) 1.05296 (13) 0.89943 (13) 0.0428 (4)
H3A 0.678377 1.086132 0.923118 0.064*
O3W 0.5936 (2) 0.52608 (18) 0.36031 (16) 0.0603 (5)
H3WA 0.605 (3) 0.558 (3) 0.409 (3) 0.072*
H3WB 0.552 (3) 0.483 (3) 0.378 (3) 0.072*
O4 0.80945 (14) 0.99219 (12) 0.78029 (12) 0.0406 (4)
O4W 0.0321 (3) 0.8165 (2) 0.7260 (2) 0.0837 (7)
H4WA 0.069 (3) 0.796 (3) 0.780 (3) 0.100*
H4WB −0.041 (2) 0.867 (2) 0.767 (3) 0.100*
O5 0.76389 (14) 0.69008 (12) 0.53782 (12) 0.0403 (4)
O5W 0.2172 (3) 0.5193 (2) 0.8215 (2) 0.1018 (10)
H5WA 0.273 (4) 0.501 (4) 0.771 (3) 0.122*
H5WB 0.205 (4) 0.587 (3) 0.827 (4) 0.122*
O6 0.56795 (17) 0.63836 (15) 0.54928 (14) 0.0563 (5)

1 Source of material

A water solution (20 mL) of trimesic acid (BTC, 0.105 g, 0.5 mmol) and NaOH (0.04 g, 1 mmol) was added to an acetonitrile solution of [CuL](ClO4)2(0.273 g, 0.5 mmol) (L = trans-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane). The resulting solution was evaporated slowly at room temperature and crystals of the title compound for X-ray analysis were obtained after 2 weeks.

2 Experimental details

The structure was solved using Direct Methods, which yielded the positions of all non-hydrogen atoms. All the hydrogen atoms of the ligands were placed in calculated positions with fixed isotropic thermal parameters. The Uiso values of the hydrogen atoms of methyl groups were set to 1.5Ueq(C) and the Uiso values of all other hydrogen atoms were set to 1.2Ueq(C, N).

3 Comment

Structures, that are similar to the title compound have been reported [5, 6], which showed two-dimensional sheets constructed by connections of hydrogen bonds. X-ray crystal structural analysis displays that the asymmetric unit of the title structure contains one [CuL(H2O)]2+, one uncoordinated BTC2− and four free water molecules. The central Cu(II) ion shows a five-coordinate tetragonal pyramid geometry by coordination with four nitrogen atoms from macrocyclic ligand L, and one oxygen atom from water molecule.

The [CuL(H2O)]2+, uncoordinated BTC2− and lattice water molecules are linked by O–H⋯O and N–H⋯O hydrogen bonds into a three-dimensional structure [7, 8].

Corresponding author: Guang-Chuan Ou, College of Chemistry and Bioengineering, Hunan University of Science and Engineering, Yongzhou, Hunan 425199, P.R. China, E-mail:

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

  2. Research funding: This work was financially supported by the construct program of applied characteristic discipline in Hunan Province.

  3. Competing interests: The authors declare no conflicts of interest regarding this article.

References

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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 PubMed PubMed Central

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6. Choi, K. Y., Lim, I. T., Mun, M. Y. Synthesis and characterization of hexamethy tetraaza macrocyclic nickel(II) complexes with polycarboxylate ligands. Polyhedron 2012, 33, 456–461; https://doi.org/10.1016/j.poly.2011.12.008.Search in Google Scholar

7. Hazari, S. K. S., Roy, T. G., Dey, B. K., Miah, H. A., Dutta, S., Tiekink, E. R. T. Refinement of the crystal structure of diaqua-(3,10-C-meso-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane) copper(II)diperchlorate, [Cu(C18H40N4)(H2O)2](ClO4)2, at 173K. Z. Kristallogr. N. Cryst. Struct. 2001, 216, 441–442; https://doi.org/10.1524/ncrs.2001.216.14.463.Search in Google Scholar

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Received: 2023-09-13
Accepted: 2023-11-23
Published Online: 2023-12-06
Published in Print: 2024-02-26

© 2023 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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  2. New Crystal Structures
  3. Crystal structure of poly[diaqua-(μ4-3,3′-di(1H-1,2,4-triazol-1-yl)-[1,1′-biphenyl]-4,4′-dicarboxylate-N:N′:O:O′)cadmium(II)], C18H14N6O6Cd
  4. Crystal structure of (8R,8′S,13S,13′R)-8,8′-bis(hydroxymethyl)-9,9′,10,10′-tetramethoxy-5,5′,6,6′,8,8′,13,13′-octahydro-[13,13′-bi[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline]-7,7′-diium chloride-methanol (1/2), C46H58N2O14Cl2
  5. The crystal structure of 8-methoxy-2,2-diphenyl-tosyl-1,2-dihydro-2λ4,3λ4-[1,3,2]diazaborolo[4,5,1-ig]quinoline, C29H25BN2O3S
  6. Crystal structure of aqua-(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N″,N‴)copper(II) 5-carboxyisophthalate tetrahydrate, C25H50N4CuO11
  7. The crystal structure of 1-(naphthalen-2-ylsulfonyl)-2,2-diphenyl-1,2-dihydro-2λ4,3λ4-[1,3,2]diazaborolo[4,5,1-ij]quinoline, C31H23BN2O2S
  8. Crystal structure of iodido-(η6-benzene) (1-(pyridin-2-yl)-N-(p-fluoro-methanamine)-κ2N,Nʹ)ruthenium(II) hexaflourophosphate, (C18H15F7IN2RuP)
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  11. Crystal structure of [triaqua-(8-carboxymethoxy-quinoline-2-carboxylate-κ4N,O,O,O)cadmium(II)]monohydrate, C12H15NO9Cd
  12. Crystal structure of ethyl 2-((4-(3,5-dimethylisoxazol-4-yl)-2,6-difluorophenyl)amino)benzoate, C20H18F2N2O3
  13. The crystal structure of 2-(hydroxymethyl)-2-(4H-1,2,4-triazol-4-yl)propane-1,3-diol, C6H11N3O3
  14. The crystal structure of 1,2-bis(2,4-dinitrophenyl) hydrazine, C12H8N6O8
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  16. The crystal structure of 5-amino-5-oxo-4-(1-oxo-4-(2-oxopyrrolidin-1-yl)isoindolin-2-yl)pentanoic acid, C17H19N3O5
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  18. The crystal structure of (E)-2-methoxy-6-(((5-methyl-1,3,4-thiadiazol-2-yl)imino)methyl)phenol, C11H11N3O2S
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  21. The crystal structure of 2-bromo-5-(4-cyanophenoxy)benzyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate, C21H19BrN2O3
  22. Crystal structure of 3,3′-(1,4-phenylenebis(methylene))bis(1-isopropyl-1H-imidazol-3-ium) bis(hexafluorophosphate(V)), C10H14F6N2P
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  28. Crystal structure of langite from Mine du Pradet (France)
  29. The crystal structure of 5′-(furan-2-yl)-3′-((4-methylphenyl)sulfonamido)-3′,4′,5′,6′-tetrahydro-[1,1′:3′,1″-terphenyl]-4′-carboxylic acid, C30H27NO5S
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https://doi.org/10.1515/ncrs-2023-0405
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Articles in the same Issue

  1. Frontmatter
  2. New Crystal Structures
  3. Crystal structure of poly[diaqua-(μ4-3,3′-di(1H-1,2,4-triazol-1-yl)-[1,1′-biphenyl]-4,4′-dicarboxylate-N:N′:O:O′)cadmium(II)], C18H14N6O6Cd
  4. Crystal structure of (8R,8′S,13S,13′R)-8,8′-bis(hydroxymethyl)-9,9′,10,10′-tetramethoxy-5,5′,6,6′,8,8′,13,13′-octahydro-[13,13′-bi[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline]-7,7′-diium chloride-methanol (1/2), C46H58N2O14Cl2
  5. The crystal structure of 8-methoxy-2,2-diphenyl-tosyl-1,2-dihydro-2λ4,3λ4-[1,3,2]diazaborolo[4,5,1-ig]quinoline, C29H25BN2O3S
  6. Crystal structure of aqua-(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N″,N‴)copper(II) 5-carboxyisophthalate tetrahydrate, C25H50N4CuO11
  7. The crystal structure of 1-(naphthalen-2-ylsulfonyl)-2,2-diphenyl-1,2-dihydro-2λ4,3λ4-[1,3,2]diazaborolo[4,5,1-ij]quinoline, C31H23BN2O2S
  8. Crystal structure of iodido-(η6-benzene) (1-(pyridin-2-yl)-N-(p-fluoro-methanamine)-κ2N,Nʹ)ruthenium(II) hexaflourophosphate, (C18H15F7IN2RuP)
  9. The crystal structure of 1-(3-oxo-1-phenyl-3-(p-tolyl) propylidene)-1,3-dihydro-2H-inden-2-one, C25H20O2
  10. Crystal structure of tricyclohexyl[4-(4H-1,2,4-triazol-4-yl)-benzoato-κO]tin(IV), C27H39N3O2Sn
  11. Crystal structure of [triaqua-(8-carboxymethoxy-quinoline-2-carboxylate-κ4N,O,O,O)cadmium(II)]monohydrate, C12H15NO9Cd
  12. Crystal structure of ethyl 2-((4-(3,5-dimethylisoxazol-4-yl)-2,6-difluorophenyl)amino)benzoate, C20H18F2N2O3
  13. The crystal structure of 2-(hydroxymethyl)-2-(4H-1,2,4-triazol-4-yl)propane-1,3-diol, C6H11N3O3
  14. The crystal structure of 1,2-bis(2,4-dinitrophenyl) hydrazine, C12H8N6O8
  15. Crystal structure of 1-(2,6-dichloro-4-(3,5-dimethylisoxazol-4-yl)phenyl)-1,2-dihydro-4H-benzo[d][1,3]oxazin-4-one, C19H14Cl2N2O3
  16. The crystal structure of 5-amino-5-oxo-4-(1-oxo-4-(2-oxopyrrolidin-1-yl)isoindolin-2-yl)pentanoic acid, C17H19N3O5
  17. Crystal structure of N2,N6-bis(2-(((Z)-5-bromo-2-hydroxybenzylidene)amino) phenyl)pyridine-2,6-dicarboxamide, C33H23Br2N5O4
  18. The crystal structure of (E)-2-methoxy-6-(((5-methyl-1,3,4-thiadiazol-2-yl)imino)methyl)phenol, C11H11N3O2S
  19. The crystal structure of 3-((tert-butyldiphenylsilyl)methyl)-5,5-diphenyl-6-(p-tolyl) tetrahydro-2H-pyran-2-one, C41H42O2Si
  20. Crystal structure of 9-fluoro-4-(6-methoxypyridin-3-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine, C18H15FN4O
  21. The crystal structure of 2-bromo-5-(4-cyanophenoxy)benzyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate, C21H19BrN2O3
  22. Crystal structure of 3,3′-(1,4-phenylenebis(methylene))bis(1-isopropyl-1H-imidazol-3-ium) bis(hexafluorophosphate(V)), C10H14F6N2P
  23. The crystal structure of 2,2-di(thiophen-3-yl)-1-tosyl-1,2-dihydro-2λ4,3λ4-[1,3,2]diazaborolo[4,5,1-ig]quinoline, C24H19BN2O2S3
  24. Crystal structure of 5-bromo-1-(2-iodobenzoyl)-1H-indole-3-carbaldehyde, C16H9BrINO2
  25. The crystal structure of monocarbonyl-2-carboxypyridinato-κ2N,O-triphenylphosphine-rhodium(I) acetonitrile solvate, C26H20.50N1.50O3PRh
  26. Crystal structure of dichlorido-tetrakis(1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol-κ1N)manganese(II), C60H68O4N12Cl10Mn
  27. Crystal structure of 3-(tert-butyldiphenylsilyl)-1-(2,6-dichlorophenyl)-2,2-diphenylpropan-1-ol, C37H36Cl2OSi
  28. Crystal structure of langite from Mine du Pradet (France)
  29. The crystal structure of 5′-(furan-2-yl)-3′-((4-methylphenyl)sulfonamido)-3′,4′,5′,6′-tetrahydro-[1,1′:3′,1″-terphenyl]-4′-carboxylic acid, C30H27NO5S
  30. Synthesis and crystal structure of bis{2-(((4-acetophenone)imino)methyl)-4-fluorophenolato-κ2N,O}zinc(II), C30H22F2N2O4Zn
  31. The crystal structure of poly[(tripyridine-κ3N,N′,N″) μ3-(pyridine-3,4-dicarboxylate-κ3N:O:O′) manganese(II)], C22H22N4O8Mn
  32. The crystal structure of (E)-4-chloro-N′-(1-(4-hydroxyphenyl)propylidene)benzohydrazide, C16H15ClN2O2
  33. Synthesis and crystal structure of bis{2-(tert-butyl)-6-((E)-((4-((E)-1-(methoxyimino) ethyl)phenyl)imino)methyl)phenolato-κ2N,O}cobalt(II), C40H46CoN4O4
  34. Crystal structure of tetraaqua-[(1-(carboxymethyl)-1H-pyrazole-3-carboxylato-κ2N,O)cobalt(II)], C6H12CoN2O8
  35. (6R,7S)-2,3,13-trimethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3′,4′]cycloocta [1′,2′:4,5]benzo[1,2-d][1,3]dioxol-1-ol, C22H26O6
  36. Crystal structure of 2-((2,6-dichloro-4-(3,5-dimethylisoxazol-4-yl)phenyl)amino)benzoic acid, C18H14Cl2N2O3
  37. Crystal structure of (5aS,6aS,8aR,9R,11aS, 11bS,13R,13aS)-1,1,8a,11a-tetramethyl-9-((S)-1-((S)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-3-oxo-1,7,8,8a,9,10,11,11a,11b,12,13,13a-dodecahydro-3H,6H-cyclopenta[5,6]cyclopropa[1,8a]naphtho[2,1-c]oxepin-13-yl acetate, C32H44O6
  38. Crystal structure of catena-poly[triaqua-(μ2-1-(4-carboxylatophenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylato-O,O′:O″)cobalt(II)], C12H12N2O8Co
  39. Crystal structure of 3-[(furan-2-ylmethyl)-amino]-2-(2,3,4,5-tetrafluoro-benzoyl)-acrylic acid ethyl ester, C17H13F4NO4
  40. Crystal structure of methyl 4-(2-ethoxy-2-oxoethoxy)-3-methoxybenzoate, C13H16O6
  41. Crystal structure of 4-bromo-2-(4-chlorophenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile, C13H7BrClF3N2
  42. The crystal structure of triaqua-(8-carboxymethoxy-quinoline-2-carboxylate-κ3N,O,O)nickel(II) monohydrate, C12H15NO9Ni
  43. Crystal structure of dihydroxy(2,4,6-triisopro-pylphenyl)telluronium trifluoromethanesulfonate, C16H25F3O5STe
  44. The crystal structure of 1-(carboxymethyl)-1H-imidazole 3-oxide
  45. The crystal structure of 1,3,5-tris(dibromomethyl)benzene, C9H6Br6
  46. Crystal structure of (Z)-3-(4-methoxyphenyl)-4-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-N-phenylthiazol-2(3H)-imine, C25H21N5OS
  47. Crystal structure of (Z)-3-(3-(4-hydroxyphenyl)-2-(phenylimino)-2,3-dihydrothiazol-4-yl)-2H-chromen-2-one, C24H16N2O3S
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