Startseite Naturwissenschaften The crystal structure of t-butyl 7-[4-(4-fluorophenyl)-2-[(methanesulfonyl)(methyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate, C26H36FN3O6S
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The crystal structure of t-butyl 7-[4-(4-fluorophenyl)-2-[(methanesulfonyl)(methyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate, C26H36FN3O6S

  • Jing Zou , Lv-Qing Sheng , Xin-Xin Xu , Rou-Han Xu und Cheng-Jun Jiang ORCID logo EMAIL logo
Veröffentlicht/Copyright: 5. Februar 2024
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Zeitschrift für Kristallographie - New Crystal Structures
Aus der Zeitschrift Zeitschrift für Kristallographie - New Crystal Structures Band 239 Heft 2

Abstract

C26H36FN3O6S, monoclinic, P21 (no. 4), a = 10.6615(4) Å, b = 8.7470(3) Å, c = 29.4342(11) Å, α = 9°, β = 95.6130(10)°, γ = 90°, V = 2731.76(17) Å3, Z = 4, R gt (F) = 0.0439, w R ref (F2) = 0.1083, T = 170 K.

CCDC no.: 2304755

The asymmetric unit of the title crystal 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 needle
Size: 0.18 × 0.04 × 0.03 mm
Wavelength: GaKα radiation (1.34139 Å)
μ: 0.97 mm−1
Diffractometer, scan mode: Bruker D8 Venture, φ and ω
θmax, completeness: 61.0°, >99 %
N(hkl)measured, N(hkl)unique, Rint: 56,488, 12,398, 0.055
Criterion for Iobs, N(hkl)gt: Iobs > 2 σ(Iobs), 11,205
N(param)refined: 686
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
S1 0.01127 (7) −0.33038 (8) 0.81540 (2) 0.02467 (15)
O1 0.1449 (2) −0.3330 (3) 0.81627 (7) 0.0334 (5)
N1 −0.0256 (2) −0.2325 (3) 0.86027 (8) 0.0267 (5)
C1 −0.0498 (3) −0.2301 (4) 0.76688 (10) 0.0323 (7)
H1A −0.005673 −0.132218 0.765378 0.049*
H1B −0.139901 −0.211342 0.768494 0.049*
H1C −0.038163 −0.290427 0.739560 0.049*
O2 −0.0560 (3) −0.4715 (3) 0.81710 (8) 0.0433 (6)
N2 0.0463 (2) −0.0662 (3) 0.91891 (7) 0.0235 (5)
C2 −0.1461 (3) −0.2613 (4) 0.87868 (11) 0.0376 (8)
H2A −0.214359 −0.213912 0.858785 0.056*
H2B −0.144136 −0.217412 0.909379 0.056*
H2C −0.160508 −0.371717 0.880189 0.056*
F1 0.40347 (19) 0.3461 (2) 0.71198 (6) 0.0414 (5)
O3 0.4315 (2) 0.4645 (3) 0.97091 (7) 0.0372 (5)
H3 0.482773 0.532163 0.981028 0.056*
N3 0.1004 (2) −0.0251 (3) 0.84337 (7) 0.0204 (5)
C3 0.0449 (3) −0.1013 (3) 0.87478 (9) 0.0209 (5)
O4 0.5370 (2) 0.7433 (2) 0.95895 (7) 0.0325 (5)
H4 0.556402 0.818342 0.975995 0.049*
C4 0.1146 (3) 0.0564 (3) 0.93309 (9) 0.0205 (5)
O5 0.5488 (3) 1.0824 (3) 0.93254 (7) 0.0395 (6)
C5 0.1824 (2) 0.1432 (3) 0.90349 (8) 0.0189 (5)
O6 0.6069 (2) 1.0633 (2) 0.86095 (7) 0.0297 (5)
C6 0.1721 (2) 0.0960 (3) 0.85770 (9) 0.0179 (5)
C7 0.1203 (3) 0.0896 (3) 0.98400 (9) 0.0252 (6)
H7 0.141872 0.200074 0.988726 0.030*
C8 −0.0049 (4) 0.0607 (5) 1.00303 (12) 0.0454 (9)
H8A −0.070903 0.121089 0.985871 0.068*
H8B 0.001460 0.090509 1.035265 0.068*
H8C −0.025925 −0.048175 1.000234 0.068*
C9 0.2254 (4) −0.0040 (5) 1.00830 (11) 0.0499 (10)
H9A 0.204873 −0.112896 1.005133 0.075*
H9B 0.235405 0.023540 1.040727 0.075*
H9C 0.304147 0.016730 0.994810 0.075*
C10 0.2374 (2) 0.1666 (3) 0.82056 (8) 0.0181 (5)
C11 0.2475 (3) 0.3238 (3) 0.81531 (8) 0.0207 (5)
H11 0.215708 0.389964 0.837079 0.025*
C12 0.3035 (3) 0.3864 (3) 0.77856 (9) 0.0239 (6)
H12 0.310452 0.493883 0.774903 0.029*
C13 0.3481 (3) 0.2868 (4) 0.74800 (9) 0.0255 (6)
C14 0.3397 (3) 0.1306 (3) 0.75136 (9) 0.0248 (6)
H14 0.372171 0.065504 0.729470 0.030*
C15 0.2823 (3) 0.0710 (3) 0.78782 (9) 0.0215 (5)
H15 0.273442 −0.036587 0.790534 0.026*
C16 0.2678 (3) 0.2684 (3) 0.92228 (8) 0.0210 (5)
H16 0.352704 0.241272 0.931673 0.025*
C17 0.2365 (3) 0.4126 (3) 0.92704 (9) 0.0250 (6)
H17 0.152423 0.441303 0.917041 0.030*
C18 0.3239 (3) 0.5352 (3) 0.94710 (9) 0.0260 (6)
H18 0.279345 0.597322 0.969113 0.031*
C19 0.3640 (3) 0.6400 (3) 0.90953 (9) 0.0222 (6)
H19A 0.287661 0.670939 0.889789 0.027*
H19B 0.418006 0.580720 0.890425 0.027*
C20 0.4352 (3) 0.7843 (3) 0.92624 (9) 0.0228 (6)
H20 0.376597 0.854161 0.940822 0.027*
C21 0.4843 (3) 0.8648 (4) 0.88576 (9) 0.0289 (6)
H21A 0.544129 0.795866 0.872199 0.035*
H21B 0.412652 0.883095 0.862366 0.035*
C22 0.5491 (3) 1.0145 (3) 0.89694 (9) 0.0251 (6)
C23 0.6768 (3) 1.2097 (4) 0.86169 (10) 0.0295 (6)
C24 0.5924 (3) 1.3421 (4) 0.87142 (11) 0.0349 (7)
H24A 0.513412 1.335353 0.851493 0.052*
H24B 0.634899 1.438559 0.865676 0.052*
H24C 0.574218 1.338277 0.903395 0.052*
C25 0.7907 (4) 1.1992 (5) 0.89635 (16) 0.0562 (11)
H25A 0.763109 1.187992 0.926975 0.084*
H25B 0.841355 1.292297 0.895110 0.084*
H25C 0.841586 1.110330 0.889467 0.084*
C26 0.7148 (5) 1.2197 (5) 0.81342 (14) 0.0620 (13)
H26A 0.769222 1.132864 0.807693 0.093*
H26B 0.760634 1.315349 0.809770 0.093*
H26C 0.639229 1.217270 0.791638 0.093*
S1A 0.90699 (7) 1.33079 (8) 0.68715 (2) 0.02486 (16)
O1A 0.9714 (3) 1.4738 (3) 0.68336 (8) 0.0420 (6)
N1A 0.9353 (2) 1.2311 (3) 0.64112 (8) 0.0290 (6)
C1A 0.9807 (3) 1.2298 (4) 0.73372 (10) 0.0325 (7)
H1AA 0.969591 1.285088 0.762002 0.049*
H1AB 1.070849 1.219792 0.730273 0.049*
H1AC 0.942967 1.127875 0.734957 0.049*
O2A 0.7747 (2) 1.3331 (3) 0.69104 (7) 0.0324 (5)
N2A 0.8661 (2) 1.0527 (3) 0.58614 (7) 0.0231 (5)
C2A 1.0172 (4) 1.2953 (5) 0.60877 (13) 0.0528 (11)
H2AA 0.966160 1.353054 0.585159 0.079*
H2AB 1.061009 1.212242 0.594522 0.079*
H2AC 1.079246 1.363580 0.625005 0.079*
O3A 0.5911 (2) 0.4038 (2) 0.51556 (6) 0.0352 (5)
H3A 0.579785 0.468642 0.494509 0.053*
N3A 0.8142 (2) 1.0268 (3) 0.66251 (7) 0.0188 (4)
C3A 0.8673 (3) 1.0969 (3) 0.62933 (9) 0.0208 (5)
F1A 0.5382 (2) 0.6414 (2) 0.79961 (6) 0.0392 (5)
O4A 0.4911 (3) 0.1407 (3) 0.54152 (7) 0.0410 (6)
H4A 0.521810 0.198981 0.522798 0.062*
C4A 0.7988 (3) 0.9275 (3) 0.57405 (8) 0.0205 (5)
O5A 0.2559 (3) 0.0198 (4) 0.58210 (9) 0.0598 (8)
C5A 0.7307 (2) 0.8476 (3) 0.60524 (8) 0.0180 (5)
O6A 0.3400 (2) −0.0867 (2) 0.64766 (7) 0.0284 (4)
C6A 0.7444 (2) 0.9032 (3) 0.65029 (8) 0.0172 (5)
C7A 0.8014 (3) 0.8768 (4) 0.52489 (9) 0.0280 (6)
H7A 0.726222 0.810650 0.516393 0.034*
C8A 0.7970 (3) 1.0125 (4) 0.49232 (9) 0.0366 (8)
H8AA 0.721946 1.074158 0.496037 0.055*
H8AB 0.793674 0.975414 0.460810 0.055*
H8AC 0.872646 1.075301 0.499168 0.055*
C9A 0.9204 (4) 0.7823 (5) 0.52097 (12) 0.0525 (10)
H9AA 0.994888 0.845992 0.528990 0.079*
H9AB 0.921186 0.745294 0.489572 0.079*
H9AC 0.921459 0.694882 0.541846 0.079*
C10A 0.6846 (2) 0.8304 (3) 0.68858 (8) 0.0173 (5)
C11A 0.6777 (2) 0.6726 (3) 0.69317 (8) 0.0201 (5)
H11A 0.706426 0.608457 0.670295 0.024*
C12A 0.6294 (3) 0.6078 (3) 0.73079 (9) 0.0238 (6)
H12A 0.625623 0.499959 0.734242 0.029*
C13A 0.5871 (3) 0.7043 (3) 0.76297 (9) 0.0239 (6)
C14A 0.5925 (3) 0.8613 (3) 0.75988 (9) 0.0240 (6)
H14A 0.563006 0.924347 0.782849 0.029*
C15A 0.6423 (3) 0.9249 (3) 0.72236 (9) 0.0200 (5)
H15A 0.647618 1.032828 0.719555 0.024*
C16A 0.6403 (3) 0.7235 (3) 0.59071 (9) 0.0219 (5)
H16A 0.554675 0.741904 0.595333 0.026*
C17A 0.6647 (3) 0.5913 (3) 0.57224 (9) 0.0248 (6)
H17A 0.749810 0.569344 0.567612 0.030*
C18A 0.5669 (3) 0.4727 (3) 0.55797 (9) 0.0227 (6)
H18A 0.482345 0.523062 0.554054 0.027*
C19A 0.5638 (3) 0.3456 (3) 0.59289 (8) 0.0245 (6)
H19C 0.550045 0.391059 0.622803 0.029*
H19D 0.646845 0.293956 0.596224 0.029*
C20A 0.4620 (3) 0.2272 (3) 0.58046 (9) 0.0221 (5)
H20A 0.379397 0.280194 0.573206 0.026*
C21A 0.4511 (3) 0.1154 (4) 0.61903 (9) 0.0273 (6)
H21C 0.527952 0.051247 0.622394 0.033*
H21D 0.448271 0.173800 0.647720 0.033*
C22A 0.3381 (3) 0.0122 (4) 0.61315 (10) 0.0282 (6)
C23A 0.2406 (3) −0.2036 (3) 0.65071 (10) 0.0264 (6)
C24A 0.2400 (5) −0.3104 (5) 0.61097 (15) 0.0631 (13)
H24D 0.226138 −0.252239 0.582471 0.095*
H24E 0.172225 −0.385526 0.612334 0.095*
H24F 0.321170 −0.363511 0.612089 0.095*
C25A 0.1153 (4) −0.1246 (5) 0.65329 (15) 0.0542 (11)
H25D 0.122850 −0.050069 0.678276 0.081*
H25E 0.051059 −0.200640 0.658874 0.081*
H25F 0.090766 −0.071863 0.624410 0.081*
C26A 0.2790 (4) −0.2837 (5) 0.69517 (13) 0.0499 (10)
H26D 0.362055 −0.330588 0.693968 0.075*
H26E 0.217067 −0.363157 0.700267 0.075*
H26F 0.282757 −0.209507 0.720215 0.075*

1 Source of materials

The t-butyl 7-[4-(4-fluorophenyl)-2-[(methanesulfonyl)(methyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate (103 mg, 0.1 mmol) was dissolved in a solution of 1.4 ml methanol and 0.6 ml deionized water. The resulting mixture was stirred and dissolved in a constant temperature water bath at 50 °C to obtain a clear solution, which was filtered and placed in a 10 ml glass bottle, the film was covered with a puncture hole. The filtrate was slowly evaporated at room temperature. Crystals of the title compound were obtained after 2 days.

2 Experimental details

Using Olex2 [2], the structure was solved with the ShelXT [3] structure solution program and refined with the ShelXL [4] package. The H atoms were fixed, and Uiso were set to 1.2 times of all C(H) groups, C(H,H) groups and N(H,H) groups; 1.5 times of C(H,H,H,H) groups, O(H) groups and O(H,H) groups.

3 Comment

Rosuvastatin calcium (Crestor; AstraZeneca), the seventh drug in the statin class, was approved by the US FDA in August 2003 for the reduction of cholesterol levels in patients with hypercholesterolaemia [5]. It is a synthetic lipid lowering drug which is also used in the treatment of osteoporosis, Alzheimer disease and acute coronary syndromes [6]. The t-butyl 7-[4-(4-fluorophenyl)-2-[(methanesulfonyl)-(methyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate is the final rosuvastatin precursor [7]. However, no single crystal structure was reported. The title crystal skeleton consists of a benzene ring and a nitrogen heterocyclic ring [8]. There are some inter- and intramolecular hydrogen bonds.

Corresponding author: Cheng-Jun Jiang, School of Biological and Chemical Engineering, Zhejiang University of Science and Technology, Liuhe Road 318#, Hangzhou, China, E-mail:

Funding source: National undergraduate innovation and entrepreneurship training program

Award Identifier / Grant number: Grant No. 202311057021

  1. Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission. We would also like to thank Mr Jiyong Liu from the Chemistry Instrumentation Center Zhejiang University for X-ray crystallographic analysis.

  2. Research funding: National undergraduate innovation and entrepreneurship training program (Grant No. 202311057021).

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

References

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Received: 2023-11-02
Accepted: 2023-12-28
Published Online: 2024-02-05
Published in Print: 2024-04-25

© 2024 the author(s), published by De Gruyter, Berlin/Boston

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

Artikel in diesem Heft

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  33. Crystal structure of N-(4-bromobenzyl)-3-(difluoromethyl)-1-methyl-N-(pyridin-2-yl)-1H-pyrazole-4-carboxamide, C18H15BrF2N4O
  34. The crystal structure of the host-guest complex: N′-{5-[2-(2,6-dimethylphenoxy)acetamido]-4-hydroxy-1,6-diphenylhexan-2-yl}-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide-diethyl ether (2/1)
  35. The crystal structure of (Z)-4-amino-N′-(1-(4-hydroxyphenyl)propylidene)benzohydrazide, C16H17N3O2
  36. The crystal structure of diethyl 1,4-dihydro-2,6-dimethyl-4-(3-cyanophenyl)-3,5-pyridinedicarboxylate, C20H22N2O4
  37. Crystal structure of 3-(5-((4-(difluoromethoxy)phenyl) sulfonyl)-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl) oxetane-3-carboxamide, C17H19F2N3O5S
  38. Crystal structure of 2-((2,6-dichloro-4-(3,5-dimethylisoxazol-4-yl)phenyl)amino)-N-(2-(4-methylpiperazin-1-yl)ethyl)benzamide hydrate, C25H37Cl2N5O6
  39. Crystal structure of 3-(benzo[d]thiazol-2-yl)-5-bromo-2-hydroxybenzaldehyde, C14H8BrNO2S
  40. Crystal structure of 3-(difluoromethyl)-1-methyl-N-(pyridin-2-yl)-1H-pyrazole-4-carboxamide, C11H10F2N4O
  41. Crystal structure of 3-(2-ethoxy-2-oxoethyl)-1-isopropyl-1H-imidazol-3-ium hexafluoridophosphate(V), C20H34F12N4P2
  42. Crystal structure of ethyl 5,6-dichloro-2-methyl-2,3-dihydro-1 H-benzo[d]imidazole-2-carboxylate, C11H12Cl2N2O2
  43. The crystal of structure of (OC-6-22)-pentakis(acetonitrile)bromidoruthenium(II)bromide monohydrate, C10H15Br2N5Ru
  44. Crystal structure of (2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(((4aS,5R,6S)-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl)oxy)tetrahydro-2H-pyran-3-yl 2,3-dihydroxybenzoate hydrate, C23H26O12·H2O
  45. The crystal structure of (E)-4-amino-N′-(1-(4-fluorophenyl)propylidene)benzohydrazide, C16H16FN3O
  46. The crystal structure of 2′-(9H-carbazol-9-yl)-[1,1′-binaphthalen]-2-amine, C32H22N2
  47. Crystal structure of poly[μ3-diiodido-[μ2-di(1H-pyrazol-1-yl)methane-κ2N,N′)]dicopper(I)], C7H8Cu2I2N4
  48. Crystal structure of 3-amino-N′-hydroxy-1H-pyrazole-4-carboximidamide, C4H7N5O
  49. The crystal structure of 1,3-diacetyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione, C8H10O4N4
  50. Crystal structure of catena-poly[aqua-(μ2-1,4-diazabicyclo[2.2.2]octane-k2N: N′)-bis(sorbato-κ1O)-copper(II), C18H28CuN2O5
  51. Crystal structure of catena-poly[triaqua-(μ2 -1-(4-carboxylatophenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylato-κ3O,O′:O′′)manganese(II)], C12H12N2O8Mn
  52. The crystal structure of [hexaaquamagnesium(II)] 4-[(pyridine-4-carbonyl)-amino]-phthalate trihydrate, C14H26N2O14Mg
  53. Crystal structure of 1-(p-tolylphenyl)-4-(2-furoyl)-3-methyl-1H-pyrazol-5-ol, C16H14N2O3
  54. The crystal structure of bis(1,4,7,10,13-pentaoxacyclopentadecane)-potassium(I) dichloridocopper(I), C20H40Cl2CuKO10
  55. The crystal structure of tris(tetra-n-butylammonium) hexanitrato-κ2O,O′-lanthanium(III) C48H108N9O18La
https://doi.org/10.1515/ncrs-2023-0479
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Artikel in diesem Heft

  1. Frontmatter
  2. New Crystal Structures
  3. Solvothermal synthesis and crystal structure of aqua-tris(p-acetamidobenzoate-κ2O,O′)-(2,2′-bipyridine-κ2N,N′)terbium(III) - water - methanol (1/1/1)
  4. Crystal structure of hexaaquazinc(II) catena-poly[bis(1-(3-carboxyphenyl)-5-methyl-4-oxo-1,4-dihydropyridazine-3-carboxylato-κ2O,O′)-bis(μ2-1-(3-carboxyphenyl)-5-methyl-4-oxo-1,4-dihydropyridazine-3-carboxylato-κ2O:O′)trizinc(II)] hexahydrate C26H36N4O20Zn2
  5. The crystal structure of valinyl-N-ium-4-(5-(thiophen-2-yl)isoxazol-3-yl)phenyl trifluoroacetate
  6. Crystal structure of bis(3,5-diisopropyl-1H-pyrazol-4-ammonium) tetrafluoroterephthalate, 2[C9H18N3][C8F4O4]
  7. Crystal structure of aqua-octakis(μ3-salicylato)-(1,10-phenanthroline)-(acetonitrile)-dicobalt(II)-trititanium(IV), C70H45N3O25Co2Ti3
  8. Crystal structure of catena-poly[aqua-(μ2-4,4′-diimidazole diphenyl ether-κ2N:N′)-(sulfato-κ1O)-cobalt(II)] – dimethylformamide (2/1), C39H37CoN9O8S
  9. Crystal structure of (5R,8R,9R,10R,12R, 13R,14R,17S)-2-(E-3-fluorobenzylidene)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl) hexadecahydro-3H-cyclopenta[a]phenanthren-3-one, C37H53FO3
  10. Crystal structure of (Z)-4-((4,5,6-trimethoxy-3-oxobenzofuran-2(3H)-ylidene)methyl)phenyl diphenylphosphinate, C30H25O7P
  11. Crystal structure of 3-((5-methylpyridin-2-yl)amino)-1-phenylpropan-1-one, C15H16N2O
  12. The crystal structure of (R)-9-(5-methoxy-2-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-1-ylidene)-9H-thioxanthene, C28H22OS
  13. Crystal structure of diaqua-bis[1-(1-(hydroxymethyl)-1H-pyrazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylato-κ2N,O)] manganese(II), C16H20MnN10O8
  14. The crystal structure of t-butyl 7-[4-(4-fluorophenyl)-2-[(methanesulfonyl)(methyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate, C26H36FN3O6S
  15. The crystal structure of samarium sulfate pentahydrate, Sm2(SO4)3(H2O)5
  16. The crystal structure of [triaqua-(8-carboxymethoxy-quinoline-2-carboxylate-κ 4 N,O,O,O)-zinc(II)] monohydrate, C12H15NO9Zn
  17. The crystal structure of 2,3-difluoro-11H-benzo-[4,5]imidazo[2,1-a]isoindol-11-one, C14H6F2N2O
  18. The crystal structure of 2,3-di(9H-carbazol-9-yl)-9H-fluoren-9-one, C37H22N2O
  19. The crystal structure of 5-(2-chloro-3-(3,6-di-tert-butyl-9H-carbazol-9-yl)phenyl)-10,11-dihydro-5H-dibenzo[b,f]azepine, C40H39ClN2
  20. Crystal structure of 2-bromo-1-hydroxy-3-(3-methylbut-2-enyloxy)-9H-xanthen-9-one, C18H15BrO4
  21. Crystal structure of bis(μ2-benzenesulfonato-κ2O:O′)-bis(μ2-6,6′-((ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene))-bis(2-methoxyphenolato-κ6O,O′:O′,N,N′,O′′:O′′,O′′′))disodium(I)dicopper(II)
  22. The crystal structure of (E)-1,2-bis(benzo[e][1,2]azaborinin-2(1H)-yl)ethene, C18H16B2N2
  23. Crystal structure of 3-oxo-urs-12-en-28-benzyl ester, C37H52O3
  24. The crystal structure of ethyl (E)-1-chloro-3-(4-chloro-1-methyl-1H-indole-2-carbonyl)-4-oxo-2-phenylcyclooct-2-ene-1-carboxylate, C27H25Cl2NO4
  25. The crystal structure of 4,4′-((5-bromo-2-iodo-1,3-phenylene)bis(oxy))bis(tert-butylbenzene) ─ ethanol (2/1), C26H28BrIO2
  26. Crystal structure of (E)-1-(4-(benzyloxy)-2-hydroxyphenyl)-3-(dimethylamino)prop-2-en-1-one, C18H19NO3
  27. The crystal structure of N1,N3-bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)\ propanediamide hydrate, C25H26N6O4, 2(H2O)
  28. The crystal structure of 2,5-bis[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]cyclohexa-2,5-diene-1,4-dione, C28H26N6O4
  29. Crystal structure of 3,4-bis[2-(hydroxymethyl)-pyrrolidin-1-yl] cyclobut-3-ene-1,2-dione hydrate, C14H22N2O5
  30. The crystal structure of 2-(3,4–dichlorobenzyl)-1H-benzimidazole, C14H10Cl2N2
  31. The crystal structure of 2-(2-((4,6-dimethoxypyrimidin-2-yl)oxy)phenyl)-4-(piperidin-1-yl)-5H-chromeno[2,3-d]pyrimidine, C28H27N5O4
  32. The crystal structure of 6-(benzofuran-2-yl)-2-oxo-4,5-diphenyl-3,4-dihydro-2H-pyran-3-carbonitrile, C26H17NO3
  33. Crystal structure of N-(4-bromobenzyl)-3-(difluoromethyl)-1-methyl-N-(pyridin-2-yl)-1H-pyrazole-4-carboxamide, C18H15BrF2N4O
  34. The crystal structure of the host-guest complex: N′-{5-[2-(2,6-dimethylphenoxy)acetamido]-4-hydroxy-1,6-diphenylhexan-2-yl}-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide-diethyl ether (2/1)
  35. The crystal structure of (Z)-4-amino-N′-(1-(4-hydroxyphenyl)propylidene)benzohydrazide, C16H17N3O2
  36. The crystal structure of diethyl 1,4-dihydro-2,6-dimethyl-4-(3-cyanophenyl)-3,5-pyridinedicarboxylate, C20H22N2O4
  37. Crystal structure of 3-(5-((4-(difluoromethoxy)phenyl) sulfonyl)-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl) oxetane-3-carboxamide, C17H19F2N3O5S
  38. Crystal structure of 2-((2,6-dichloro-4-(3,5-dimethylisoxazol-4-yl)phenyl)amino)-N-(2-(4-methylpiperazin-1-yl)ethyl)benzamide hydrate, C25H37Cl2N5O6
  39. Crystal structure of 3-(benzo[d]thiazol-2-yl)-5-bromo-2-hydroxybenzaldehyde, C14H8BrNO2S
  40. Crystal structure of 3-(difluoromethyl)-1-methyl-N-(pyridin-2-yl)-1H-pyrazole-4-carboxamide, C11H10F2N4O
  41. Crystal structure of 3-(2-ethoxy-2-oxoethyl)-1-isopropyl-1H-imidazol-3-ium hexafluoridophosphate(V), C20H34F12N4P2
  42. Crystal structure of ethyl 5,6-dichloro-2-methyl-2,3-dihydro-1 H-benzo[d]imidazole-2-carboxylate, C11H12Cl2N2O2
  43. The crystal of structure of (OC-6-22)-pentakis(acetonitrile)bromidoruthenium(II)bromide monohydrate, C10H15Br2N5Ru
  44. Crystal structure of (2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(((4aS,5R,6S)-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl)oxy)tetrahydro-2H-pyran-3-yl 2,3-dihydroxybenzoate hydrate, C23H26O12·H2O
  45. The crystal structure of (E)-4-amino-N′-(1-(4-fluorophenyl)propylidene)benzohydrazide, C16H16FN3O
  46. The crystal structure of 2′-(9H-carbazol-9-yl)-[1,1′-binaphthalen]-2-amine, C32H22N2
  47. Crystal structure of poly[μ3-diiodido-[μ2-di(1H-pyrazol-1-yl)methane-κ2N,N′)]dicopper(I)], C7H8Cu2I2N4
  48. Crystal structure of 3-amino-N′-hydroxy-1H-pyrazole-4-carboximidamide, C4H7N5O
  49. The crystal structure of 1,3-diacetyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione, C8H10O4N4
  50. Crystal structure of catena-poly[aqua-(μ2-1,4-diazabicyclo[2.2.2]octane-k2N: N′)-bis(sorbato-κ1O)-copper(II), C18H28CuN2O5
  51. Crystal structure of catena-poly[triaqua-(μ2 -1-(4-carboxylatophenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylato-κ3O,O′:O′′)manganese(II)], C12H12N2O8Mn
  52. The crystal structure of [hexaaquamagnesium(II)] 4-[(pyridine-4-carbonyl)-amino]-phthalate trihydrate, C14H26N2O14Mg
  53. Crystal structure of 1-(p-tolylphenyl)-4-(2-furoyl)-3-methyl-1H-pyrazol-5-ol, C16H14N2O3
  54. The crystal structure of bis(1,4,7,10,13-pentaoxacyclopentadecane)-potassium(I) dichloridocopper(I), C20H40Cl2CuKO10
  55. The crystal structure of tris(tetra-n-butylammonium) hexanitrato-κ2O,O′-lanthanium(III) C48H108N9O18La
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Heruntergeladen am 19.12.2025 von https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2023-0479/html?srsltid=AfmBOoqtTL7CdXBURf-LezFkCh5vsSppUVjpPXFo_GusRHF9_7mk-iE8
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