Home The crystal structure of N-(2-((2-methoxynaphthalen-1-yl)ethynyl)phenyl)-4-methylbenzenesulfonamide, C26H21NO3S
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The crystal structure of N-(2-((2-methoxynaphthalen-1-yl)ethynyl)phenyl)-4-methylbenzenesulfonamide, C26H21NO3S

  • Yi-Ning Li ORCID logo EMAIL logo , Yi Liu and Shaoliang Zhang ORCID logo
Published/Copyright: May 27, 2024
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Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 239 Issue 4

Abstract

C26H21NO3S, triclinic, P 1 ‾ (no. 2), a = 11.7598(11) Å, b = 12.7434(12) Å, c = 17.0020(16) Å, α = 104.146(3)°, β = 103.926(3)°, γ = 102.322(3)°, V = 2295.5(4) Å3, Z = 4, R gt (F) = 0.0453, wR ref (F 2) = 0.1320, T = 293 K.

CCDC no.: 2351938

The molecular structure is shown in the figure. 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: Colourless block
Size: 0.23 × 0.22 × 0.20 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 0.17 mm−1
Diffractometer, scan mode: Bruker SMART APEX II, φ and ω
θ max, completeness: 25.0°, >99 %
N(hkl)measured, N(hkl)unique, R int: 39,850, 8079, 0.024
Criterion for I obs, N(hkl)gt: I obs > 2σ(I obs), 6321
N(param) refined: 563
Programs: Bruker 1 , SHELX 2
Table 2:

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

Atom x y z U iso*/U eq
S1 0.80937 (5) 0.16743 (6) 0.77196 (4) 0.07764 (19)
O1 0.72443 (16) 0.23059 (18) 0.78364 (13) 0.1029 (6)
O2 0.82841 (16) 0.13506 (18) 0.69079 (10) 0.0997 (6)
O3 0.63512 (15) 0.19113 (14) 0.95462 (11) 0.0838 (5)
N1 0.75941 (15) 0.05387 (17) 0.79694 (12) 0.0757 (5)
H1 0.687409 0.038380 0.802376 0.091*
C1 1.2984 (3) 0.4069 (3) 1.0429 (2) 0.1282 (12)
H1A 1.322276 0.352396 1.068387 0.192*
H1B 1.291717 0.468175 1.085718 0.192*
H1C 1.358723 0.435408 1.018127 0.192*
C2 1.1755 (2) 0.3511 (2) 0.97394 (15) 0.0757 (6)
C3 1.1689 (2) 0.3036 (2) 0.89101 (15) 0.0775 (6)
H3 1.240697 0.308919 0.876361 0.093*
C4 1.05830 (19) 0.2483 (2) 0.82889 (14) 0.0691 (5)
H4 1.055764 0.216234 0.772906 0.083*
C5 0.95132 (18) 0.24040 (18) 0.84956 (12) 0.0608 (5)
C6 0.9550 (2) 0.2883 (2) 0.93253 (15) 0.0809 (7)
H6 0.883039 0.283803 0.946923 0.097*
C7 1.0666 (3) 0.3428 (2) 0.99346 (15) 0.0890 (7)
H7 1.069366 0.375172 1.049454 0.107*
C8 0.83308 (17) −0.02029 (17) 0.80995 (13) 0.0619 (5)
C9 0.8870 (2) −0.0645 (2) 0.75009 (15) 0.0784 (6)
H9 0.876660 −0.045511 0.699887 0.094*
C10 0.9559 (2) −0.1364 (2) 0.76562 (18) 0.0857 (7)
H10 0.992920 −0.164776 0.725954 0.103*
C11 0.9707 (2) −0.1667 (2) 0.83834 (18) 0.0824 (7)
H11 1.016530 −0.216129 0.847474 0.099*
C12 0.91777 (19) −0.12410 (17) 0.89802 (15) 0.0686 (5)
H12 0.927980 −0.144965 0.947425 0.082*
C13 0.84875 (16) −0.04963 (15) 0.88492 (12) 0.0552 (4)
C14 0.79321 (17) −0.00368 (16) 0.94622 (13) 0.0573 (4)
C15 0.74220 (17) 0.03768 (16) 0.99269 (13) 0.0579 (5)
C16 0.67446 (16) 0.08334 (16) 1.04478 (13) 0.0578 (5)
C17 0.66239 (18) 0.04733 (17) 1.11624 (13) 0.0631 (5)
C18 0.7243 (2) −0.0265 (2) 1.14434 (16) 0.0802 (6)
H18 0.775020 −0.053840 1.115416 0.096*
C19 0.7109 (3) −0.0583 (3) 1.21336 (19) 0.1054 (9)
H19 0.754159 −0.105563 1.231814 0.126*
C20 0.6329 (4) −0.0207 (3) 1.2566 (2) 0.1136 (10)
H20 0.623384 −0.044007 1.302962 0.136*
C21 0.5713 (3) 0.0494 (3) 1.23109 (18) 0.0972 (9)
H21 0.518971 0.073330 1.259942 0.117*
C22 0.5850 (2) 0.08720 (19) 1.16136 (14) 0.0742 (6)
C23 0.5262 (2) 0.1631 (2) 1.13523 (18) 0.0863 (8)
H23 0.475026 0.189261 1.164238 0.104*
C24 0.5416 (2) 0.1998 (2) 1.06887 (18) 0.0833 (7)
H24 0.502471 0.251505 1.053962 0.100*
C25 0.61625 (18) 0.16000 (18) 1.02262 (14) 0.0673 (5)
C26 0.5777 (3) 0.2707 (3) 0.9287 (2) 0.1184 (11)
H26A 0.595754 0.281649 0.878665 0.178*
H26B 0.608094 0.341448 0.973847 0.178*
H26C 0.490774 0.242375 0.916314 0.178*
S2 0.32466 (5) 0.34449 (5) 0.70728 (3) 0.06694 (16)
O4 0.41174 (16) 0.37760 (15) 0.78986 (9) 0.0865 (5)
O5 0.20180 (15) 0.28064 (15) 0.69260 (11) 0.0891 (5)
O6 0.02397 (15) 0.33713 (14) 0.52382 (11) 0.0818 (4)
N2 0.31268 (15) 0.45876 (14) 0.68166 (11) 0.0631 (4)
H2 0.244486 0.475272 0.674068 0.076*
C27 0.5326 (4) 0.1082 (3) 0.4469 (2) 0.1214 (11)
H27A 0.470486 0.043226 0.405653 0.182*
H27B 0.600270 0.085077 0.473888 0.182*
H27C 0.560103 0.160913 0.418828 0.182*
C28 0.4804 (3) 0.1638 (2) 0.51332 (16) 0.0793 (7)
C29 0.3572 (3) 0.1575 (2) 0.49290 (16) 0.0888 (7)
H29 0.305725 0.115699 0.438152 0.107*
C30 0.3091 (2) 0.2114 (2) 0.55158 (15) 0.0790 (6)
H30 0.226400 0.207013 0.536400 0.095*
C31 0.38486 (18) 0.27226 (16) 0.63331 (12) 0.0576 (5)
C32 0.5076 (2) 0.27845 (19) 0.65505 (14) 0.0691 (5)
H32 0.558880 0.318698 0.710122 0.083*
C33 0.5538 (2) 0.2247 (2) 0.59467 (16) 0.0794 (6)
H33 0.636710 0.229854 0.609567 0.095*
C34 0.41636 (17) 0.53057 (15) 0.67206 (12) 0.0550 (4)
C35 0.5244 (2) 0.58038 (19) 0.73839 (14) 0.0723 (6)
H35 0.530095 0.569038 0.791026 0.087*
C36 0.6241 (2) 0.6470 (2) 0.72665 (17) 0.0816 (7)
H36 0.697022 0.679346 0.771333 0.098*
C37 0.6169 (2) 0.66592 (19) 0.65011 (18) 0.0820 (7)
H37 0.684771 0.710716 0.642909 0.098*
C38 0.50989 (19) 0.61907 (17) 0.58407 (15) 0.0709 (6)
H38 0.505123 0.633220 0.532417 0.085*
C39 0.40768 (17) 0.55013 (15) 0.59354 (12) 0.0546 (4)
C40 0.29467 (18) 0.49983 (16) 0.52608 (12) 0.0565 (4)
C41 0.19491 (18) 0.45610 (16) 0.47549 (12) 0.0572 (4)
C42 0.07296 (17) 0.40789 (15) 0.41822 (12) 0.0566 (4)
C43 0.04114 (18) 0.42648 (15) 0.33730 (12) 0.0588 (5)
C44 0.1281 (2) 0.48654 (18) 0.30732 (13) 0.0699 (5)
H44 0.210427 0.511779 0.339386 0.084*
C45 0.0922 (3) 0.5078 (2) 0.23158 (16) 0.0878 (7)
H45 0.150134 0.547721 0.212657 0.105*
C46 −0.0313 (3) 0.4699 (3) 0.18221 (17) 0.1011 (9)
H46 −0.054912 0.486411 0.131433 0.121*
C47 −0.1159 (3) 0.4100 (3) 0.20762 (17) 0.0954 (9)
H47 −0.197112 0.383859 0.173326 0.114*
C48 −0.0836 (2) 0.38563 (18) 0.28594 (14) 0.0723 (6)
C49 −0.1689 (2) 0.3240 (2) 0.3151 (2) 0.0889 (8)
H49 −0.250187 0.295203 0.280954 0.107*
C50 −0.1369 (2) 0.3050 (2) 0.3913 (2) 0.0844 (7)
H50 −0.195961 0.262969 0.408236 0.101*
C51 −0.01494 (19) 0.34856 (17) 0.44487 (15) 0.0664 (5)
C52 −0.0647 (3) 0.2903 (2) 0.5599 (2) 0.1028 (9)
H52A −0.104259 0.212216 0.527336 0.154*
H52B −0.124601 0.331073 0.558781 0.154*
H52C −0.024833 0.296042 0.617768 0.154*

1 Source of materials

Under nitrogen atmosphere, compound 2-bromoaniline (1.0 equiv), Pd(PPh3)2Cl2 (2 mol%), CuI (4 mol%) were dissolved in DMF:Et3N = 2:1 (0.5 M). Then 1-ethynyl-2-methoxynaphthalene (1.3 equiv) was added. The resulting mixture was stirred overnight at 100 °C. After the reaction was completed (monitored by TLC), the reaction was cooled to room temperature and quenched with brine. The reaction system was extracted three times with ethyl acetate. The combined organic layers were dried over anhydrous sodium sulfate, filtered and concentrated in vacuo. The mixture was purified by flash column chromatography (PE/EA) to afford the coupling product. The mixture of corresponding p–toluenesulfonyl chloride (1.1 equiv) and coupling product (1.0 equiv) in pyridine (0.2 M) was stirred overnight at room temperature. After completion of the reaction (monitored by TLC), the mixture was treated with HCl (1 M) and extracted with ethyl acetate. The combined organic layers were dried over anhydrous sodium sulfate, filtered, and concentrated under reduced pressure. N-(2-((2-methoxynaphthalen-1-yl)ethynyl)phenyl)benzenesulfonamide was purified by flash chromatography on silica gel using petroleum ether/ethyl acetate (10:1) as eluent.

2 Experimental details

In the title compound, all non-hydrogen atoms were refined anisotropically. All hydrogen atomic positions were taken from a difference Fourier map. Hydrogen atoms were assigned with common isotropic displacement factors U iso(H) = 1.2 times U eq (C, phenyl ring and methylene carbon) and U iso(H) = 1.5 times U eq (C, methyl carbon). All the H atoms were refined as riding on their parent atom.

3 Comment

Aromatic alkynes, as highly active organic synthesis intermediates, have been widely studied. In recent years, many reactions involving addition, substitution, coupling, and polymerization involving aromatic alkynes have been reported and widely applied in biology, new drugs, and functional materials. 3 – 5 The strong conjugated structure of aromatic rings makes aromatic alkynes and their derivatives more unstable than general substituted alkynes, 6 making them more prone to form carbon negative ions and exhibiting high reactivity. 7 The intramolecular cyclization of alkynes is an effective method for constructing various heterocycles, 8 intramolecular cyclization has been widely studied due to its ability to synthesize special structural cores, which always start from bifunctional substrates. 9 And ortho alkynylbenzamide is one of the important and useful bifunctional structural units, which can synthesize various heterocyclic compounds through regioselective cyclization of triple bonds. 10 The construction of ortho alkynylbenzamide is regarded as a desirable and valuble synthetic goal, 11 which would be of great significance to the synthetic and pharmaceutical fields. 12

There are two crystallographically independent molecules in the asymmetric unit (see the Figure). The title compound contains one naphthalene and one ethynylaniline. The dihedral angles of ring 1 (C8–C9–C10–C11–C12–C13) and naphthalene is 10.8°, indicating that these rings are almost coplanar. The dihedral angles of ring 2 (C2–C3–C4–C5–C6–C7) and ring 1 (C8–C9–C10–C11–C12–C13), ring 2 (C2–C3–C4–C5–C6–C7) and naphthalene are 63.3° and 68.4°, And the torsion angles of C13–C14–C15–C16 are −58.2°, the angles of C13–C14–C15 and C14–C15–C16 are 174.9° and 176.7°. The short bond distance between C14 and C15 indicates the presence of triple bonds. All the bond lengths and angles are comparable with their analogues and in the expected ranges. 13 – 19

Corresponding author: Yi-Ning Li, Department of Nuclear Safety and Environmental Engineering Technology, China Institute of Atomic Energy, Beijing 102413, China, E-mail:

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

  2. Research funding: Structural design and property research of sintered glass-ceramics for radioactive molten salt waste Research Project. This work was financially supported by the National natural science foundation of China Research Project (No. U2267219).

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

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Received: 2024-03-26
Accepted: 2024-04-29
Published Online: 2024-05-27
Published in Print: 2024-08-27

© 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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  28. Synthesis and crystal structure of 3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid, C12H13NO5S
  29. The crystal structure of hexaaquamagnesium(II) bis-3-(1,2,3,4-tetrahydrobenzo[4,5]imidazo[1,2-α]pyridin-1-yl)benzoate, C36H42N4O10Mg
  30. Crystal structure of 4-formyl-2-methoxyphenyl 2-acetoxybenzoate, C17H14O6
  31. Crystal structure of poly[octakis(μ-oxido)-tris(μ-1,1′-[[1,1′-biphenyl]-4,4′-diylbis(methylene)]bis(1H-imidazole))-tetrakis(oxido)-tetra-vanadium-dimanganese(II)dihydrate], C30H29MnN6O7V2
  32. Crystal structure of 4,8a-bis(4-chlorophenyl)-1,5,6-tris(4-fluorobenzyl)-1,4,4a,4b,5,6,8a,8b-octahydrocyclobuta[1,2-b:3,4-c′]dipyridine-3,8-dicarbonitrile, C45H33Cl2F3N4
  33. Crystal structure of benzo[d][1,3]dioxol-5-ylmethyl 2-(6-methoxynaphthalen-2-yl)propanoate, C22H20O5
  34. Crystal structure of N-benzoyl-N-phenylhydroxylaminato-dicarbonylrhodium(I), [Rh(BNA)CO2]
  35. The crystal structure of N-(2-((2-methoxynaphthalen-1-yl)ethynyl)phenyl)-4-methylbenzenesulfonamide, C26H21NO3S
  36. The crystal structure of methyl ((4-aminobenzyl)sulfonyl)-d-prolinate, C13H18N2O4S
  37. The crystal structure of dichlorido-(N-isopropyl-N-(pyridin-2-ylmethyl)propan-2-amine-κ 2 N, N′)palladium(II), C12H20N2PdCl2
  38. Crystal structure of poly[(μ 2-5-hydroxyisophthalato-κ4 O,O′:O″,O‴)-(μ 2-1,4-bis(2-methylimidazolyl)-1-butene-N:N′)nickel(II)], C20H20NiN4O5
  39. The crystal structure of {hexakis(1-methyl-1H-imidazole-κ 1 N)cobalt(II)}(μ 2-oxido)-hexaoxido-dimolybdenum(VI)— 1-methyl-1H-imidazole (1/2), C32H48CoMo2N16O7
  40. Synthesis, crystal structure and nonlinear optical property of 1-((propan-2-ylideneamino)oxy)propan-2-yl-4-methylbenzenesulfonate, C13H19O4NS
  41. The crystal structure of N,N-(ethane-1,1-diyl)dibenzamide, C16H16N2O2
  42. Crystal structure of 1-(4-bromophenyl)-3-(diphenylphosphoryl)-3-hydroxypropan-1-one, C21H18BrO3P
  43. The crystal structure of fac-tricarbonyl(bis(3,5-dimethyl-4H-pyrazole)-κ1 N)-((nitrato)-κ1 O)-rhenium(I)— 3,5-dimethyl-4H-pyrazole(1/1), C18H23N7O6Re
  44. The crystal structure of 4′-chloro-griseofulvin: (2S,6′R)-4′,7-dichloro-4,6-dimethoxy-6′-methyl-3H-spiro[benzofuran-2,1′-cyclohexan]-3′-ene-2′,3-dione, C16H14Cl2O5
  45. Crystal structure of tetraethylammonium bicarbonate–1-(diaminomethylene)thiourea(1/1)
  46. Crystal structure of 1-cyclohexyl-4-p-tolyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester, C22H27NO4
  47. The crystal structure of catena-poly(μ2-1,4-bis-(1H-imidazol-1-yl)benzene-copper(I)) dichloridocopper(I), {[CuC12H10N4]+[CuCl2]−} n
  48. The crystal structure of propane-1-aminium-2-carbamate, C4H10N2O2
  49. Crystal structure of 5,6,3′,4′,5′-pentamethoxy-flavone dihydrate, C20H24O9
  50. Crystal structure of (E)-N-(2-bromophenyl)-4-(4-(3,5-dimethoxystyryl)phenoxy)pyrimidin-2-amine, C26H22BrN3O3
  51. Crystal structure of methyl (3R)-1-(2-bromo-4-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride hydrate, C19H19BrClFN2O3
  52. The crystal structure of 1-(2-chlorophenyl)-3-(p-tolyl)urea, C14H13ClN2O
  53. The crystal structure of 1-cyclohexyl-3-(p-tolyl)urea, C14H20N2O
  54. Crystal structure of ((benzyl(hydroxy)-amino)(4-chlorophenyl)methyl)-diphenylphosphine oxide, C26H23ClNO2P
  55. The crystal structure of ethyl 3-(1-methyl-1H-indole-2-carbonyl)-2-phenylquinoline-4-carboxylate, C28H22N2O3
  56. The crystal structure of 1,4-bis(1H-imidazol-3-ium-1-yl)benzene dinitrate, C12H12N4 2+·2(NO3 −)
  57. Crystal structure of tris(hexafluoroacetylacetonato-κ2O,O′) bis(triphenylphosphine oxide-κ1O)samarium(III), C51H33F18O8P2Sm
  58. Crystal structure of 1-(4-(dimethylamino)phenyl)-2,3-bis(diphenylphosphoryl)propan-1-one, C35H33NO3P2
  59. Crystal structure of diaqua[bis(μ 2-pyridine 2,6-dicarboxylato) bismuth(III) potassium(I)], C14H10BiKN2O10
  60. Crystal structure of (R)-N, N ′-dimethyl-[1, 1′-binaphthalene]-2, 2′-diamine, C22H20N2
  61. Crystal structure of 1-phenyl-4-(2-furoyl)-3-furyl-1H-pyrazol-5-ol, C18H12N2O4
  62. Crystal structure of bis(14,34-dimethyl[11,21:23,31-terphenyl]-22-yl)diselane, C40H34Se2
https://doi.org/10.1515/ncrs-2024-0147
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Articles in the same Issue

  1. Frontmatter
  2. New Crystal Structures
  3. The crystal structure of hexaquazinc(II) poly[hexakis(μ2-4-methylbenzenesulfinato-κ2O:O′) dizinc(II)]
  4. The crystal structure of poly[((2-(4,5-dihydro-1H-pyrazol-4-yl)-1,3-dioxoisoindoline-5-carbonyl)oxy)(1-(dimethylamino)ethoxy)zinc[II]], C16H14ZnN4O5
  5. Crystal structure of bis[(triaqua-4-iodopyridine-2,6-dicarboxylato-κ 3 N,O,O ″)cobalt(II)] trihydrate, C14H22N2O17I2Co2
  6. Crystal structure of bis(methanol-κO)-bis(nitrato-kO)-bis(1-((2-(2-chloro-4-(4-chlorophenoxy)phenyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole-κN)cadmium(II), C40H42O14N8Cl4Cd
  7. Crystal structure of poly[μ2-dichlorido-(μ2-1-[(2,4-dimethyl-1H-triazole-1-yl)methyl]-1H-benzotriazole-κ2N:N′)cadmium(II)], C11H12CdN6Cl2
  8. The crystal structure of (3aS, 4R, 7S, 7aR)-hexahydro-4, 7-methano-1H-isoindole-1, 3-(2H)-dione, C9H11NO2
  9. The crystal structure of N-(acridin-9-yl)-4-chloro-N-(4-chloro-butanoyl) butanamide, C21H20Cl2N2O2
  10. Crystal structure of 3,3′-dimethoxy-4,4′-oxy-di-benzaldehyde, C16H14O5
  11. The crystal structure of tetrakis(μ 2-2-amino-3,5-dibromobenzoate-κ 2 O:O′)-octakis(n-butyl-κ 1 C)-bis(μ 3-oxo)tetratin(II), C60H92Br8N4O10Sn4
  12. Crystal structure of methyl-1-(naphthalen-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b] indole-3-carboxylate, C23H20N2O2
  13. Crystal structure of tetrapropylammonium bicarbonate–1-(diaminomethylene)thiourea(1/1)
  14. Crystal structure of 6,6′-((1E,1′E)-((2-phenylpyrimidine-4,6-diyl)bis(hydrazin-2-yl-1-ylidene))bis(methaneylylidene))bis(2-methoxyphenol)monohydrate, C26H26N6O5
  15. Crystal structure of bis(N,N,N-trimethylbutanaminium) tetrathiotungstate(VI), (BuMe3N)2[WS4]
  16. The crystal structure of 2,3,9-triphenyl-9-(2-phenylbenzofuran-3-yl)-9H-9λ 5-benzo[4,5][1,2]oxaphospholo[2,3-b][1,2,5]oxadiphosphole 2-oxide, C40H28O4P2
  17. Crystal structure of 1–methyl-3-propyl-4-nitro-1H-pyrazole-5-carboxylic acid, C8H11N3O4
  18. Crystal structure of N-(benzo[d]thiazol-2-yl)-2-chloroacetamide, C9H7ClN2OS
  19. The crystal structure of N-benzyl-2-chloro-N-(p-tolyl) acetamide, C16H16ClNO
  20. Crystal structure of 3,4-dimethoxybenzyl 2-(6-methoxynaphthalen-2-yl)propanoate, C23H24O5
  21. Crystal structure of 2,5-bis(2,5-dimethoxybenzyl)-3,6-dimethyl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione, C26H28N2O6
  22. Crystal structure of poly[(μ3-5-bromoisophthalato-κ4 O,O′ :O″,O‴)-(μ2-1,2-bis(1,2,4-triazole-1-ylmethyl)benzene-κ2 N:N′)cobalt(II)], C20H15BrCoN6O4
  23. The crystal structure of bis(2-(piperidin-1-ium-4-yl)-1Hbenzo[d]imidazol-3-ium) dihydrogen decavanadate, C24H36N6O28V10
  24. Crystal structure of diaqua-bis(1-(3-carboxyphenyl)-5-methyl-4-oxo-1,4-dihydropyridazine3-carboxylato-O,O′)-cobalt(ii)dihydrate, C26H36N4O14Co
  25. Crystal structure of poly[(μ2-5-bromoisophthalato-κ4 O,O ′:O ″,O ‴)-(μ2-1,4-bis(2-methylimidazol-1-ylmethyl)benzene-N:N′)cadmium(II)], C24H21BrCdN4O4
  26. The crystal structure of dimethyl 8-(3-methoxy-2-(methoxycarbonyl)-3-oxoprop-1-en-1-yl)-4-methyl-1-(p-tolyl)-1,3a,4,8b-tetrahydro-3H-furo[3,4-b]indole-3,3-dicarboxylate. C28H29NO9
  27. Crystal structure of (3R)-1-(3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate chloride, C21H23ClN2O4
  28. Synthesis and crystal structure of 3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid, C12H13NO5S
  29. The crystal structure of hexaaquamagnesium(II) bis-3-(1,2,3,4-tetrahydrobenzo[4,5]imidazo[1,2-α]pyridin-1-yl)benzoate, C36H42N4O10Mg
  30. Crystal structure of 4-formyl-2-methoxyphenyl 2-acetoxybenzoate, C17H14O6
  31. Crystal structure of poly[octakis(μ-oxido)-tris(μ-1,1′-[[1,1′-biphenyl]-4,4′-diylbis(methylene)]bis(1H-imidazole))-tetrakis(oxido)-tetra-vanadium-dimanganese(II)dihydrate], C30H29MnN6O7V2
  32. Crystal structure of 4,8a-bis(4-chlorophenyl)-1,5,6-tris(4-fluorobenzyl)-1,4,4a,4b,5,6,8a,8b-octahydrocyclobuta[1,2-b:3,4-c′]dipyridine-3,8-dicarbonitrile, C45H33Cl2F3N4
  33. Crystal structure of benzo[d][1,3]dioxol-5-ylmethyl 2-(6-methoxynaphthalen-2-yl)propanoate, C22H20O5
  34. Crystal structure of N-benzoyl-N-phenylhydroxylaminato-dicarbonylrhodium(I), [Rh(BNA)CO2]
  35. The crystal structure of N-(2-((2-methoxynaphthalen-1-yl)ethynyl)phenyl)-4-methylbenzenesulfonamide, C26H21NO3S
  36. The crystal structure of methyl ((4-aminobenzyl)sulfonyl)-d-prolinate, C13H18N2O4S
  37. The crystal structure of dichlorido-(N-isopropyl-N-(pyridin-2-ylmethyl)propan-2-amine-κ 2 N, N′)palladium(II), C12H20N2PdCl2
  38. Crystal structure of poly[(μ 2-5-hydroxyisophthalato-κ4 O,O′:O″,O‴)-(μ 2-1,4-bis(2-methylimidazolyl)-1-butene-N:N′)nickel(II)], C20H20NiN4O5
  39. The crystal structure of {hexakis(1-methyl-1H-imidazole-κ 1 N)cobalt(II)}(μ 2-oxido)-hexaoxido-dimolybdenum(VI)— 1-methyl-1H-imidazole (1/2), C32H48CoMo2N16O7
  40. Synthesis, crystal structure and nonlinear optical property of 1-((propan-2-ylideneamino)oxy)propan-2-yl-4-methylbenzenesulfonate, C13H19O4NS
  41. The crystal structure of N,N-(ethane-1,1-diyl)dibenzamide, C16H16N2O2
  42. Crystal structure of 1-(4-bromophenyl)-3-(diphenylphosphoryl)-3-hydroxypropan-1-one, C21H18BrO3P
  43. The crystal structure of fac-tricarbonyl(bis(3,5-dimethyl-4H-pyrazole)-κ1 N)-((nitrato)-κ1 O)-rhenium(I)— 3,5-dimethyl-4H-pyrazole(1/1), C18H23N7O6Re
  44. The crystal structure of 4′-chloro-griseofulvin: (2S,6′R)-4′,7-dichloro-4,6-dimethoxy-6′-methyl-3H-spiro[benzofuran-2,1′-cyclohexan]-3′-ene-2′,3-dione, C16H14Cl2O5
  45. Crystal structure of tetraethylammonium bicarbonate–1-(diaminomethylene)thiourea(1/1)
  46. Crystal structure of 1-cyclohexyl-4-p-tolyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester, C22H27NO4
  47. The crystal structure of catena-poly(μ2-1,4-bis-(1H-imidazol-1-yl)benzene-copper(I)) dichloridocopper(I), {[CuC12H10N4]+[CuCl2]−} n
  48. The crystal structure of propane-1-aminium-2-carbamate, C4H10N2O2
  49. Crystal structure of 5,6,3′,4′,5′-pentamethoxy-flavone dihydrate, C20H24O9
  50. Crystal structure of (E)-N-(2-bromophenyl)-4-(4-(3,5-dimethoxystyryl)phenoxy)pyrimidin-2-amine, C26H22BrN3O3
  51. Crystal structure of methyl (3R)-1-(2-bromo-4-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride hydrate, C19H19BrClFN2O3
  52. The crystal structure of 1-(2-chlorophenyl)-3-(p-tolyl)urea, C14H13ClN2O
  53. The crystal structure of 1-cyclohexyl-3-(p-tolyl)urea, C14H20N2O
  54. Crystal structure of ((benzyl(hydroxy)-amino)(4-chlorophenyl)methyl)-diphenylphosphine oxide, C26H23ClNO2P
  55. The crystal structure of ethyl 3-(1-methyl-1H-indole-2-carbonyl)-2-phenylquinoline-4-carboxylate, C28H22N2O3
  56. The crystal structure of 1,4-bis(1H-imidazol-3-ium-1-yl)benzene dinitrate, C12H12N4 2+·2(NO3 −)
  57. Crystal structure of tris(hexafluoroacetylacetonato-κ2O,O′) bis(triphenylphosphine oxide-κ1O)samarium(III), C51H33F18O8P2Sm
  58. Crystal structure of 1-(4-(dimethylamino)phenyl)-2,3-bis(diphenylphosphoryl)propan-1-one, C35H33NO3P2
  59. Crystal structure of diaqua[bis(μ 2-pyridine 2,6-dicarboxylato) bismuth(III) potassium(I)], C14H10BiKN2O10
  60. Crystal structure of (R)-N, N ′-dimethyl-[1, 1′-binaphthalene]-2, 2′-diamine, C22H20N2
  61. Crystal structure of 1-phenyl-4-(2-furoyl)-3-furyl-1H-pyrazol-5-ol, C18H12N2O4
  62. Crystal structure of bis(14,34-dimethyl[11,21:23,31-terphenyl]-22-yl)diselane, C40H34Se2
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