Home Physical Sciences Crystal structure of (E)-4-(4-ethylbenzylidene)-6,8-dimethoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, C21H22O4
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Crystal structure of (E)-4-(4-ethylbenzylidene)-6,8-dimethoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, C21H22O4

  • Wen-Xin Zhu , De-Li Xia , Yu-Hao Miao , Yu-Xin Pan , Qing-Guo Meng and Gui-Ge Hou ORCID logo EMAIL logo
Published/Copyright: May 23, 2025
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Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 240 Issue 4

Abstract

C21H22O4, orthorhombic, Pbca (no. 61), a = 9.1326(5) Å, b = 14.0165(9) Å, c = 26.9851(19) Å, V = 3454.3(4) Å3, Z = 8, R gt(F) = 0.0433 (2685), wR ref(F 2) = 0.0965, T = 293 K.

CCDC no.: 2431765

The molecular structure is shown in the figure. Displacement ellipsoids are drawn at the 50 % probability level. There is a drug molecule.

Table 1 contains the crystallographic data and the list of the atoms including atomic coordinates and displacement parameters can be found in the cif-file attached to this article.

Table 1:

Data collection and handling.

Crystal: Colourless block
Size: 0.16 × 0.13 × 0.12 mm
Wavelength: Cu Kα radiation (1.54178 Å)
μ: 0.89 mm−1
Diffractometer, scan mode: Rigaku, ω scan
θ max, completeness: 74.3°, 100 %
N(hkl)measured, N(hkl)unique, R int: 9625, 3779, 0.031
Criterion for I obs, N(hkl)gt: I obs > 2 σ(I obs), 3421
N(param)refined: 264
Programs: Rigaku, 1 SHELX 2 , 3

1 Source of material

According to the literature methods, 4 , 5 a mixture of 3,5-dimethoxyphenol (15.42 g, 0.1 mol), ethyl 4-bromobutyrate (21.72 g, 0.12 mol), potassium carbonate (41.46 g, 0.3 mol), KI (3.32 g, 20 mmol) and N,N-dimethylformamide (300 mL) was added to a round-bottom flask. The reaction was stirred at 353 K for about 5 h. After cooling, the mixture was acidified with dilute HCl (1 M), extracted with ethyl acetate (3 × 50 mL), and dried over anhydrous Na2SO4. The solvent was removed under reduced pressure, and the residue was purified by silica gel column chromatography (petroleum ether/ethyl acetate = 5:1, v:v) to afford the intermediate 6,8-dimethoxy-3,4-dihydrobenzo[b]oxepin-5 (2H)-one. Subsequently, this intermediate (1.11 g, 5.0 mmol) and 5-bromo-2-hydroxybenzaldehyde (1.01 g, 5.0 mmol) were dissolved in ethanol (25 mL). A solution of 10 % NaOH (5 mL) was added and the mixture stirred for about 12 h at 333 K. The reaction progress was monitored by thin-layer chromatography (TLC, hexane/ethyl acetate = 3:1, v:v). After cooling to room temperature, the mixture was adjusted to pH 5 using concentrated hydrochloric acid. The precipitate was collected and purified on a silica gel column using petroleum ether/EtOAc (10:1, v:v) as eluent. The precipitate obtained by suction filtration was rinsed with 50 % methanol. After drying, recrystallization from a dichloromethane and methanol solution (4 mL, 1:1, v:v) yielded (E)-4-(4-ethylbenzylidene)-6,8-dimethoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one as colourless crystals.

2 Experimental details

The H atoms were placed in idealized positions and treated as riding on their parent atoms, with d(C–H) = 0.96 Å (methyl), U iso(H) = 1.5U eq(C), and d(C–H) = 0.97 Å (methylene), U iso(H) = 1.2U eq(C), and d(C–H) = 0.93 Å (aromatic), U iso(H) = 1.2U eq(C).

3 Comment

The structure of title compound features key functional groups and structural motifs that correlate with its potential bioactivity. Its core skeleton is benoxacycloheptenone, and the C(1) site ketocarbonyl group (C=O) is the key polar site, which may target key proteins such as kinases, HDACs, TrxR, proteases, nuclear receptors and HSP90 through hydrogen bond covalently or metal coordination. 4 The rigidity and hydrophobicity of the benzo-rings further optimize the binding selectivity and efficacy in the treatment of anti-tumor, antiviral and metabolic diseases. 6 At the same time, the α,β-unsaturated ketone is formed with the C(2) position (E)-configuration benzylidene double bond, giving it the potential to act as a Michael receptor, which can covalently interact with mercapto-containing biomolecules, thereby inhibiting bioactive groups. 7 , 8 The methoxyl group at the C(7) and C(9) position can target cyclooxygenase or microbial enzymes, and has anti-inflammatory and antibacterial activity. Methoxyl can also reduce the rate of oxidative metabolism, prolong the half-life, and improve the stability of metabolism. 9 , 10

Single crystal structure analysis shows that there is only one molecule in the asymmetric unit of the title compound (cf. figure). The bond lengths and bond angles are within the normal range. The skeleton of the entire molecule is a benzoxepane derivative. The skeleton contains a heteroatomic oxygen. In this seven-membered ring, the bond lengths of C(1)–C(10), C(1)–C(2), C(2)–C(3), C(3)–C(4), C(4)–O(2), and O(2)–C(5) are 1.493(2) Å, 1.497(2) Å, 1.505(2) Å, 1.519(2) Å, 1.4446(19) Å, and 1.3885(19) Å, respectively. This benzoxepane ring is not coplanar and the corresponding torsion angles of C(10)–C(1)–C(2)–C(3), C(1)–C(2)–C(3)–C(4), C(2)–C(3)–C(4)–O(2), and C(3)–C(4)–O(2)–C(5) are −175.86(14)°, −74.33(18)°, 41.96(19)°, and 50.55(18)°, respectively. 11 There are two methoxy substitutions at the C(7) and C(9) positions of the molecule. At the C(2) position, there is a double-bonded substituted benzene ring that combines with the original carbonyl group to form an α,β-unsaturated ketone unit. 12 The bond lengths of C(1)=O(1) and C(2)=C(13) are 1.224(2) Å and 1.335(2) Å, respectively. The torsion angle of C(1)–C(2)–C(13)–C(14) is −179.03(16)°, which demonstrated the E stereochemistry of the olefinic double bond. 13 , 14 In addition, at the para-position of the benzene ring, there is an ethyl substituent. Overall, this distorted conformation may increase the possibility of interaction with biologically active molecules, resulting in enhanced biological activity. 15 , 16

Corresponding author: Gui-Ge Hou, School of Pharmacy, Binzhou Medical University, Yantai, 264003, P.R. China, E-mail:

Acknowledgments

This work was supported by Shandong Laboratory Program (No. SYS202205), Shandong Provincial Natural Science Foundation (Nos. ZR2022MH159 and ZR2023MH190) and Shandong Province Science and Technology-based Small and Medium-sized Enterprises Innovation Capacity Enhancement Project (No. 2023TSGC0870).

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Received: 2025-04-08
Accepted: 2025-05-13
Published Online: 2025-05-23
Published in Print: 2025-08-26

© 2025 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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  1. Frontmatter
  2. New Crystal Structures
  3. Hydrothermal synthesis, crystal structure of [K3：N1:N2:N4-3-(pyridin-2-yl)-1,2,4-triazole] binuclear Ni(II) complex[Ni2(C7H5N4)2(C7H4ClO2)2]
  4. The crystal structure of di(thiocyanato-κ1N)-bis(methanol)-di(1,3-bis((pyridin-4-ylthio)methyl)benzene)-iron(II), C40H40FeN6O2S6
  5. Crystal structure of poly[(μ 3-3,3″,5,5″-tetrafluoro-(1,1′:4′,1″-terphenyl)-4,4″-dicarboxylate-κ 3 O,O′:O″)-(μ 4-3,3″,5,5″-tetrafluoro-(1,1′:4′,1″-terphenyl)-4,4″-dicarboxylate-κ 4 O,O′,O″,O‴)-dicadmium(II)]dimethylformamide solvate, C47H30Cd2F8N3O12
  6. The crystal structure of a 3d-4f complex based on 2-(benzo[d]thiazol-2-yl)-6-methoxyphenol C31H27N4O13S2CoEr
  7. Crystal structure of poly[(μ 2-1,4-bis(imidazol-1-yl)benzene-k 2 N:N′)(μ 4-biphenyl-3,3′,5,5′-tetracarboxylic-k 4 O,O,O,O)dizinc(II)] dihydrate, C40H28Zn2N8O9
  8. The crystal structure of 4-(bis(2-chloroethyl)amino)-2-hydroxybenzaldehyde, C11H13Cl2NO2
  9. Synthesis and crystal structure of-(10S,13S,16R,Z) −17-ethylidene-16-hydroxy-10,13-dimethylhexadecahydro-3 H-cyclopenta[α]phenanthren-3-one, C21H32O2
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  12. The crystal structure of 4-chloro-1H-pyrazole-3-carboxylic acid, C4H3ClN2O2
  13. The crystal structure of bepotastine besilate, C27H31ClN2O6S
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  16. The crystal structure of (2R,4S)-5-([1,1′-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methyl pentanoic acid, C23H29NO4
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  18. The structure of (E)-6-(cyclopropylmethyl)-11-(2,2-difluoropropylidene)-2-methyl-6, 11-dihydrodibenzo[c,f][1,2]thiazepine 5,5-dioxide, C21H21F2NO2S
  19. Crystal structure of catena-poly[(μ 2-(2-(1H-imidazol-1-ylmethyl)benzyl)-1H-imidazole κ2N:N′)- (μ 2-cyclohexane-1,2-dicarboxylato κ2O,O′)cobalt(II) monohydrate]
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  22. The crystal structure of (5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl)(3-methylphenyl)methanone, C18H14N2O4S
  23. The crystal structure of diaqua-bis[5-(4-methylphenyl)-1H-pyrazole-3-carboxylato-κ2N,O]-cobalt(II), C11H11Co0.5N2O3
  24. Crystal structure of 2-(6-methoxynaphthalen-2-yl)-N-(4-morpholinophenyl)propanamide, C24H26N2O3
  25. The crystal structure of sodium methylsulfonate
  26. Crystal structure of catena-poly[bis(isothiocyanate κ 1 N)-(μ 2-3,3ʹ-methylenebis(1-methyl-1,3-dihydro-2H-imidazole-2-thione)-κ 2 S:S′)-cobalt(II)], C11H12CoN6S4
  27. The crystal structure of {hexakis(1-methyl-1H-imidazole-κ 1N)nickel(II)} (μ 2-oxo)-hexaoxido-di-molybdenum(VI)─1-methyl-1H-imidazole (1/2), C32H48NiMo2N16O7
  28. 6-(Diphenylphosphoryl)-3,3′,6′-tris(10H-phenoxazin-10-yl)-[1,1′-biphenyl]-2,2′-dicarbonitrile, C62H38N5O4P
  29. The crystal structure of R-2′-amino-N-methyl-N-(1-phenylethyl)-[1,1′-biphenyl]-4-carboxamide, C22H22N2O
  30. The crystal structure of bis{tetrakis(n-butyl)(μ-hydroxy)(2,3,5,6-tetrafluorobenzoate) (μ 3 -oxo)ditin(IV)}
  31. Crystal structure of catena-poly[aqua-(μ 2(3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylato-κ 2 O:O′)-(3,6-bis(4′-pyridyl)-1,2,4,5-tetrazine-κ 1 N)zinc(II)], C22H16N6O5S2Zn
  32. The crystal structure of 3-bromo-5-cyano–N-(5-(cyanomethyl)quinolin-8-yl)pentanamide, C19H15BrN4O
  33. The crystal structure of bis(tetramethylammonium) (di-μ2-aqua)hexaaqua-dibarium(II)) decavanadate
  34. The crystal structure of catena-poly(bis(μ 2-chlorido)- (μ 2-4′-(pyridin-4-yl)-2,2′:6′,2″-terpyridine–N′, N″, N‴:N″″) -chlorido-dicopper(I,II)) monohydrate, C20H16N4OCl3Cu2
  35. Crystal structure of spiropachysine, C31H46N2O
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  37. The crystal structure of 2-acetylpyridine-ortho-fluoro-phenylhydrazone, C14H12FN3O
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  53. Crystal structure of N-(adamantan-1-yl)-4-methylpiperazine-1-carbothioamide, C16H27N3S
  54. Crystal structure of poly[(μ 2-2,2′-[1,4-phenylenebis(methylenesulfanediyl)]dibenzoato-κ 4 O,O′:O″,O‴)-(μ 2-1,1′-([1,1′-biphenyl]-4,4′-diyl)bis(1H-benzimidazole)-κ 2 N:N′)cadmium(II)]dimethylformamide solvate, C51H41N5O5S2Cd
  55. The crystal structure of 2-benzoyl-3′,4′,5′,6′-tetrahydrospiro[isoindoline-1,2′-pyran]-3-one, C19H17NO3
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  57. Crystal structure of (1,3-dioxolan-2-ylmethyl)triphenylphosphonium bromide, C22H22BrO2P
  58. Crystal structure of [(2,4-dichlorobenzyl)triphenylphosphonium] tetrachloridomanganese(II)
  59. The crystal structure of 2-(2-hydroxy-4-n-octyloxyphenyl)-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine, C33H39N3O2
  60. Crystal structure of catena-poly[aqua-(5-carboxypyridine-2-carboxylate-κ 2N,O)(2,5-pyridine-dicarboxylate-κ 4O,O′:N:O″)bismuth(III)], C14H9BiN2O9
  61. Crystal structure of (E)-1-fluoro-4-(2-(phenylsulfonyl)vinyl)benzene, C14H11FO2S
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https://doi.org/10.1515/ncrs-2025-0178
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Articles in the same Issue

  1. Frontmatter
  2. New Crystal Structures
  3. Hydrothermal synthesis, crystal structure of [K3：N1:N2:N4-3-(pyridin-2-yl)-1,2,4-triazole] binuclear Ni(II) complex[Ni2(C7H5N4)2(C7H4ClO2)2]
  4. The crystal structure of di(thiocyanato-κ1N)-bis(methanol)-di(1,3-bis((pyridin-4-ylthio)methyl)benzene)-iron(II), C40H40FeN6O2S6
  5. Crystal structure of poly[(μ 3-3,3″,5,5″-tetrafluoro-(1,1′:4′,1″-terphenyl)-4,4″-dicarboxylate-κ 3 O,O′:O″)-(μ 4-3,3″,5,5″-tetrafluoro-(1,1′:4′,1″-terphenyl)-4,4″-dicarboxylate-κ 4 O,O′,O″,O‴)-dicadmium(II)]dimethylformamide solvate, C47H30Cd2F8N3O12
  6. The crystal structure of a 3d-4f complex based on 2-(benzo[d]thiazol-2-yl)-6-methoxyphenol C31H27N4O13S2CoEr
  7. Crystal structure of poly[(μ 2-1,4-bis(imidazol-1-yl)benzene-k 2 N:N′)(μ 4-biphenyl-3,3′,5,5′-tetracarboxylic-k 4 O,O,O,O)dizinc(II)] dihydrate, C40H28Zn2N8O9
  8. The crystal structure of 4-(bis(2-chloroethyl)amino)-2-hydroxybenzaldehyde, C11H13Cl2NO2
  9. Synthesis and crystal structure of-(10S,13S,16R,Z) −17-ethylidene-16-hydroxy-10,13-dimethylhexadecahydro-3 H-cyclopenta[α]phenanthren-3-one, C21H32O2
  10. The crystal structure of catena-((μ 2-4,4′-bipyridine-κ 2 N:N′)-bis(4-fluorobenzoato-κ1O)-copper(II)), C24H16F2N2O4Cu
  11. Crystal structure of catena-poly[(ethylenediamine-κ2 N,N′)-μ-tetraoxomolybdato(VI) zinc(II)], C2H8MoN2O4Zn
  12. The crystal structure of 4-chloro-1H-pyrazole-3-carboxylic acid, C4H3ClN2O2
  13. The crystal structure of bepotastine besilate, C27H31ClN2O6S
  14. The crystal structure of (η 6-p-cymene)benzyldiphenylphosphine-diiodido-ruthenium(II) dichloromethane solvate
  15. The crystal structure of poly[(μ 2-1-(1-imidazolyl)-4- (imidazol-1′-yl-methyl)benzene κ 2 N:N′)-(μ 2-3-nitrobenzene -1,2-dicarboxylato-k4,O,O′:O′′,O′′′]zinc(II)-κ 2, C21H15N5O6Zn
  16. The crystal structure of (2R,4S)-5-([1,1′-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methyl pentanoic acid, C23H29NO4
  17. The crystal strucure of [2,2′-{1,2-phenylenebis [(azanylylidene)methanylylidene]}bis(4-fluorophenolato)-κ4 N,N′,O,O′] nickel(II) N, N-dimethylformamide solvate, C23H19F2N3NiO3
  18. The structure of (E)-6-(cyclopropylmethyl)-11-(2,2-difluoropropylidene)-2-methyl-6, 11-dihydrodibenzo[c,f][1,2]thiazepine 5,5-dioxide, C21H21F2NO2S
  19. Crystal structure of catena-poly[(μ 2-(2-(1H-imidazol-1-ylmethyl)benzyl)-1H-imidazole κ2N:N′)- (μ 2-cyclohexane-1,2-dicarboxylato κ2O,O′)cobalt(II) monohydrate]
  20. The crystal structure of 3,5,7-trinitro-1,3,5,7-oxatriazocane
  21. Crystal structure of poly[(μ2-nitrato-κ3 O,O′:O′′)(μ2-1-[(2-propyl-1H-benzimidazole-1-yl)methyl]-1H-benzotriazole-k2 N:N′)silver(I)], C17H17AgN6O3
  22. The crystal structure of (5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl)(3-methylphenyl)methanone, C18H14N2O4S
  23. The crystal structure of diaqua-bis[5-(4-methylphenyl)-1H-pyrazole-3-carboxylato-κ2N,O]-cobalt(II), C11H11Co0.5N2O3
  24. Crystal structure of 2-(6-methoxynaphthalen-2-yl)-N-(4-morpholinophenyl)propanamide, C24H26N2O3
  25. The crystal structure of sodium methylsulfonate
  26. Crystal structure of catena-poly[bis(isothiocyanate κ 1 N)-(μ 2-3,3ʹ-methylenebis(1-methyl-1,3-dihydro-2H-imidazole-2-thione)-κ 2 S:S′)-cobalt(II)], C11H12CoN6S4
  27. The crystal structure of {hexakis(1-methyl-1H-imidazole-κ 1N)nickel(II)} (μ 2-oxo)-hexaoxido-di-molybdenum(VI)─1-methyl-1H-imidazole (1/2), C32H48NiMo2N16O7
  28. 6-(Diphenylphosphoryl)-3,3′,6′-tris(10H-phenoxazin-10-yl)-[1,1′-biphenyl]-2,2′-dicarbonitrile, C62H38N5O4P
  29. The crystal structure of R-2′-amino-N-methyl-N-(1-phenylethyl)-[1,1′-biphenyl]-4-carboxamide, C22H22N2O
  30. The crystal structure of bis{tetrakis(n-butyl)(μ-hydroxy)(2,3,5,6-tetrafluorobenzoate) (μ 3 -oxo)ditin(IV)}
  31. Crystal structure of catena-poly[aqua-(μ 2(3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylato-κ 2 O:O′)-(3,6-bis(4′-pyridyl)-1,2,4,5-tetrazine-κ 1 N)zinc(II)], C22H16N6O5S2Zn
  32. The crystal structure of 3-bromo-5-cyano–N-(5-(cyanomethyl)quinolin-8-yl)pentanamide, C19H15BrN4O
  33. The crystal structure of bis(tetramethylammonium) (di-μ2-aqua)hexaaqua-dibarium(II)) decavanadate
  34. The crystal structure of catena-poly(bis(μ 2-chlorido)- (μ 2-4′-(pyridin-4-yl)-2,2′:6′,2″-terpyridine–N′, N″, N‴:N″″) -chlorido-dicopper(I,II)) monohydrate, C20H16N4OCl3Cu2
  35. Crystal structure of spiropachysine, C31H46N2O
  36. Crystal structure of poly[aqua-(μ 2-3-bromoisonicotinato-κ 2 N: O)-(μ 2-3-bromoisonicotinato-κ 3 N: O: O′)-(μ 3-3-bromoisonicotinato-κ 3 N: O: O′)-(μ 2-nitrite-κ 3 O: O′: O″)dicadmium(II) monohydrate], C19H12Br3Cd2N3O9
  37. The crystal structure of 2-acetylpyridine-ortho-fluoro-phenylhydrazone, C14H12FN3O
  38. The crystal structure of poly(triaqua-(m 2-2,2′-bipyridine-4,4′-dicarboxylato-K 2 O:O′)-bis(m 2-2-2′-bipyridine-4,4′-dicarboxylato-K 4 O,O′:O″:O‴)dierbium(III)) hydrate, C36H26Er2N6O16
  39. The crystal structure of 1,1′-(phenazine-5,10-diyl)bis(heptan-1-one), C26H34N2O2
  40. The crystal structure of (4-([2,2′:6′,2″-terpyridin]-4′-yl)phenyl)boronic acid, C21H16BN3O2
  41. Crystal structure of 6-hydroxy-5H-pyrrolo[3,4-b]pyrazine-5,7(6H)-dione, C6H3N3O3
  42. Crystal structure of N′-((1-hydroxycyclohexyl)(phenyl)methyl)-2-methoxybenzohydrazide ethanol solvate, C23H30N2O4
  43. Crystal structure of pyridinium tetrakis[1,1,1-trifluoro-2,4-pentadionato-K2 O,O′]lutetium(III) C20F12H16LuO8C5H6N
  44. Crystal structure of dichlorido–tetrakis{3-((1H-1,2,4-triazol-1-yl)methyl)-1-(4-chlorophenyl)-4,4-dimethylpentan-3-ol-k 1N}cobalt(II), C64H88O4N12Cl6Co
  45. The crystal structure of tetrakis(4-allyl-2-methoxyphenyl nicotinato-k 1 N)bis(thiocyanato-k 1 N)cobalt(II)
  46. The crystal structure of methyl 4-(3,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C20H21Cl2NO3
  47. The crystal structure of (E)–N-(4-chlorobenzylidene)(4-chlorophenyl)methanamine, C14H11Cl2N
  48. Crystal structure of (E)-4-(4-ethylbenzylidene)-6,8-dimethoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, C21H22O4
  49. Crystal structure of 4-bromo-3-nitro-1H-pyrazole-5-carboxylic acid dimethyl sulfoxide monosolvate, C4H2N3O4⋅C2H6OS
  50. Crystal structure of-(1S,4aR,5S)-5,6,7-trihydroxy-8-isopropyl-1-methyl-1,2,3,4,5,10,11,11a-octahydro-4a,1-(epoxymethano)dibenzo[a,d][7]annulen-13-one C20H26O5
  51. Crystal structure of 7,9-dimethoxy-2-methyl-4-propylbenzo[f]isoquinolin-5-yl 4-bromobenzoate, C26H24BrNO4
  52. Crystal structure of bis(N,N,N-trimethylbutanaminium)tridecathiotrimolybdate(2−), (BuMe3N)2[Mo3S13]
  53. Crystal structure of N-(adamantan-1-yl)-4-methylpiperazine-1-carbothioamide, C16H27N3S
  54. Crystal structure of poly[(μ 2-2,2′-[1,4-phenylenebis(methylenesulfanediyl)]dibenzoato-κ 4 O,O′:O″,O‴)-(μ 2-1,1′-([1,1′-biphenyl]-4,4′-diyl)bis(1H-benzimidazole)-κ 2 N:N′)cadmium(II)]dimethylformamide solvate, C51H41N5O5S2Cd
  55. The crystal structure of 2-benzoyl-3′,4′,5′,6′-tetrahydrospiro[isoindoline-1,2′-pyran]-3-one, C19H17NO3
  56. The crystal structure of 1-(4-cyanobenzyl)-4-phenyl-1,4-dihydropyridine-3-carbonitrile, C20H15N3
  57. Crystal structure of (1,3-dioxolan-2-ylmethyl)triphenylphosphonium bromide, C22H22BrO2P
  58. Crystal structure of [(2,4-dichlorobenzyl)triphenylphosphonium] tetrachloridomanganese(II)
  59. The crystal structure of 2-(2-hydroxy-4-n-octyloxyphenyl)-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine, C33H39N3O2
  60. Crystal structure of catena-poly[aqua-(5-carboxypyridine-2-carboxylate-κ 2N,O)(2,5-pyridine-dicarboxylate-κ 4O,O′:N:O″)bismuth(III)], C14H9BiN2O9
  61. Crystal structure of (E)-1-fluoro-4-(2-(phenylsulfonyl)vinyl)benzene, C14H11FO2S
  62. Crystal structure of methyl 2-amino-3-chloro-4-methoxybenzoate, C9H10ClNO3
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