Home 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
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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

  • Soon Young Shin , Ha-Jin Lee and Dongsoo Koh ORCID logo EMAIL logo
Published/Copyright: November 27, 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

C26H21BrN2O4, triclinic, P1̄ (no. 2), a = 9.061(3) Å, b = 11.640(3) Å, c = 12.751(3) Å, α = 65.985(7)°, β = 87.683(8)°, γ = 72.332(12)°, V = 1165.1(5) Å3, Z = 2, R gt(F) = 0.0351, wR ref (F 2) = 0.0873, T = 296(2) K.

CCDC no.: 2403234

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 plate
Size: 0.27 × 0.26 × 0.07 mm
Wavelength:

μ:		 Mo Kα radiation (0.71073 Å)

1.80 mm−1
Diffractometer, scan mode:

θ max, completeness:		 PHOTON III M14, φ and ω

28.2°, >99 %
N(hkl)measured, N(hkl)unique, R int: 35180, 5741, 0.034
Criterion for I obs, N(hkl)gt: I obs > 2σ(I obs), 4809
N(param)refined: 301
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
O1 0.3467 (2) 0.3140 (2) 0.6147 (2) 0.0865 (7)
C1 0.4788 (2) 0.3256 (2) 0.6099 (2) 0.0474 (5)
C2 0.5934 (2) 0.25934 (18) 0.55031 (16) 0.0368 (4)
C3 0.5530 (2) 0.17987 (19) 0.50480 (18) 0.0405 (4)
C4 0.6585 (3) 0.1178 (2) 0.44685 (19) 0.0473 (5)
H4 0.6310 0.0648 0.4178 0.057*
C5 0.8023 (2) 0.13411 (19) 0.43238 (18) 0.0439 (4)
H5 0.8723 0.0930 0.3932 0.053*
C6 0.8429 (2) 0.21282 (18) 0.47673 (16) 0.0372 (4)
C7 0.7421 (2) 0.27380 (18) 0.53503 (16) 0.0367 (4)
H7 0.7723 0.3251 0.5647 0.044*
O2 0.41309 (18) 0.16097 (17) 0.51522 (17) 0.0592 (4)
H2 0.3617 0.1996 0.5524 0.089*
Br1 1.04244 (2) 0.23495 (2) 0.45403 (2) 0.05277 (9)
C8 0.5185 (2) 0.4044 (2) 0.66162 (18) 0.0438 (4)
H8 0.6144 0.4191 0.6518 0.053*
C9 0.4185 (3) 0.4562 (2) 0.72327 (18) 0.0450 (4)
H9 0.3260 0.4357 0.7325 0.054*
C10 0.4354 (2) 0.53917 (19) 0.77694 (17) 0.0420 (4)
C11 0.3215 (2) 0.5963 (2) 0.83723 (17) 0.0445 (5)
N1 0.3659 (2) 0.67564 (18) 0.86999 (15) 0.0472 (4)
N2 0.5117 (2) 0.67133 (16) 0.83302 (14) 0.0440 (4)
C12 0.5548 (2) 0.59001 (18) 0.77816 (17) 0.0421 (4)
C13 0.1663 (3) 0.5766 (3) 0.8634 (2) 0.0610 (6)
H13A 0.1807 0.4874 0.9188 0.092*
H13B 0.1107 0.5923 0.7939 0.092*
H13C 0.1079 0.6374 0.8945 0.092*
O3 0.69404 (18) 0.57521 (13) 0.73363 (14) 0.0516 (4)
C14 0.8012 (2) 0.44604 (18) 0.77316 (17) 0.0385 (4)
C15 0.7964 (2) 0.3468 (2) 0.87783 (17) 0.0478 (5)
H15 0.7236 0.3636 0.9276 0.057*
C16 0.9017 (3) 0.2218 (2) 0.90783 (19) 0.0545 (5)
H16 0.8985 0.1532 0.9777 0.065*
C17 1.0123 (2) 0.1978 (2) 0.83436 (18) 0.0451 (5)
C18 1.0187 (2) 0.2997 (2) 0.73174 (18) 0.0433 (4)
H18 1.0948 0.2846 0.6835 0.052*
C19 0.9115 (2) 0.42468 (19) 0.70047 (18) 0.0432 (4)
H19 0.9144 0.4936 0.6307 0.052*
O4 1.1096 (2) 0.07001 (16) 0.87145 (15) 0.0694 (5)
C20 1.2096 (4) 0.0358 (3) 0.7944 (3) 0.0857 (10)
H20A 1.1501 0.0596 0.7239 0.129*
H20B 1.2622 −0.0580 0.8282 0.129*
H20C 1.2848 0.0823 0.7785 0.129*
C21 0.5908 (3) 0.7521 (2) 0.85127 (18) 0.0471 (5)
C22 0.6713 (3) 0.8181 (2) 0.7668 (2) 0.0580 (6)
H22 0.6773 0.8092 0.6974 0.070*
C23 0.7435 (4) 0.8980 (3) 0.7860 (3) 0.0742 (8)
H23 0.7994 0.9421 0.7296 0.089*
C24 0.7324 (4) 0.9122 (3) 0.8882 (3) 0.0847 (9)
H24 0.7806 0.9661 0.9008 0.102*
C25 0.6505 (4) 0.8469 (3) 0.9714 (3) 0.0859 (10)
H25 0.6431 0.8572 1.0402 0.103*
C26 0.5785 (3) 0.7660 (3) 0.9543 (2) 0.0640 (6)
H26 0.5230 0.7219 1.0109 0.077*

1 Source of material

Aqueous KOH solution (8 ml, 40 %) was added to an equimolar amount of 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde (10 mmol, 2.2 g) and 4-methoxyphenol (10 mmol, 1.24 g) dissolved in 30 ml of dimethylforamide, and the reaction mixture was refluxed 1 h. After cooling the reaction mixture, it was stirred at room temperature overnight. Ice water was added to the mixture and acidified with 6N HCl (pH = 3–4). The resulting precipitate was filtered, washed with ethanol to give 5-(4-methoxyphenoxy)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde (1.07 g, 33 %) compound. To a solution of aldehyde compound obtained above (1 mmol, 0.308 mg) in 20 ml ethanol, was added 1-(4-bromo-2-hydroxyphenyl)ethanone (1 mmol, 0.215 g) and stirred to furnish clear solution. To the reaction mixture a catalytic amount of piperidine was given and stirred at room temperature overnight to give precipitate. The resulting precipitate was filtered and washed with ethanol. The crude solid recrystallized from ethanol solution to form crystals suitable for X-ray diffraction.

2 Experimental details

Data collections and reduction were carried out using the Bruker software APEX2 and SAINT including SADABS. 1 Hydrogen atoms were placed in their geometrically idealized positions and constrained to ride on their parent atoms with C–H = 0.96 Å (methyl), U iso (H) = 1.5 U eq (C), C–H = 0.94 Å (aromatic), U iso (H) = 1.2 U eq (C), O–H = 0.83 Å (hydroxyl), U iso (H) = 1.5 U eq (O).

3 Comment

Pyrazole is a five-membered conjugated aromatic compound that exhibits a wide range of biological activities, including anticancer, antibiotic, antifungal, anti-inflammatory, and antiviral properties. 5 Expanding the widespread use of pyrazole, a huge variety of synthesis methods have been reported over the years. 6 , 7 The presence of an aryl group in the pyrazole increases the pharmacological properties to some extent. 8 , 9 Therefore, the title pyrazole compound having a poly-aromatic substituent was synthesized and its crystal structure was identified. The molecular structure of the title compound is shown in the Figure. The central pyrazole ring (C12/C10/C11/N1/N2) connects three benzene rings (C2–C7, C14–C19 and C21–C26). The C21–C26 benzene ring is directly connected to N2 of the pyrazole ring. However, the C14–C19 benzene ring and C2–C7 benzene ring are connected to C12 and C10 of the pyrazole ring through O3 oxygen and C1–C3 enone system, respectively. The trans configuration of the C8 db C9 double bond in the enone group is confirmed by the dihedral angle of C1–C8 db C9–C10 of 177.8 (2)°.

The dihedral angle between the pyrazole ring and the C2–C7 benzene ring is 4.05(2)°, indicating that the rings are close to coplanar. On the other hand, the pyrazole ring forms dihedral angles of 70.7(1)° with the C14–C19 benzene ring and 39.1(2)° with the C21–C26 benzene ring, respectively, indicating that these rings are highly twisted with each other. The hydroxyl group attached to the C2–C7 benzene ring forms an intramolecular O2–H2⋯O1 hydrogen bond. In the crystal, pairs of C15–H15–N1 hydrogen bonds generate inversion dimers with graph-set notation R2 2 (14) and the dimers are linked by pairwise C4–H4–O2 hydrogen bonds.

Corresponding author: Dongsoo Koh, Department of Applied Chemistry, Dongduk Women’s University, Seoul 136-714, Republic of Korea, E-mail:

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

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

  3. Research funding: National Research Foundation of Korea grant fundedby the Korean Government (MSIT, Grant No. 2023R1A2C1003601) and the KU Research Professor Program of Konkuk University.

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Received: 2024-10-14
Accepted: 2024-11-16
Published Online: 2024-11-27
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.

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
https://doi.org/10.1515/ncrs-2024-0408
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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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