Startseite Crystal structure of carbonyl(2-methylquinolin-8-olato-κ2N,O)(triphenylarsine-κAs)rhodium(I), C29H23AsNO2Rh
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Crystal structure of carbonyl(2-methylquinolin-8-olato-κ2N,O)(triphenylarsine-κAs)rhodium(I), C29H23AsNO2Rh

  • Mohammed A. Elmakki ORCID logo EMAIL logo , Orbett T. Alexander ORCID logo , Johan A. Venter und Andreas Roodt
Veröffentlicht/Copyright: 10. Dezember 2020
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Zeitschrift für Kristallographie - New Crystal Structures
Aus der Zeitschrift Zeitschrift für Kristallographie - New Crystal Structures Band 236 Heft 1

Abstract

C29H23AsNO2Rh, triclinic, P1‾ (no. 2), a = 9.2778(18) Å, b = 9.8274(16) Å, c = 14.444(3) Å, α = 99.748(6)°, β = 91.330(7)°, γ = 114.197(6)°, V = 1177.6(4) Å3, Z = 2, Rgt(F) = 0.0552, wRref(F2) = 0.1005, T = 100 K.

CCDC no.: 2039775

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:Yellow cube
Size:0.10 × 0.04 × 0.04 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:2.15 mm−1
Diffractometer, scan mode:Bruker APEX-II, φ and ω
θmax, completeness:28.4°, >99%
N(hkl)measured, N(hkl)unique, Rint:24079, 5879, 0.105
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 3978
N(param)refined:308
Programs:SHELX [1], Bruker [2], Diamond [3], OLEX2 [4]
Table 2:

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

AtomxyzUiso*/Ueq
Rh10.24960 (5)0.69631 (5)0.19849 (3)0.02261 (11)
As10.36553 (6)0.62552 (5)0.31787 (4)0.02050 (13)
O10.0399 (4)0.5280 (4)0.2174 (3)0.0332 (9)
O20.5611 (5)0.9441 (5)0.1880 (3)0.0550 (13)
N10.0957 (6)0.7155 (5)0.0960 (3)0.0298 (10)
C1−0.0786 (7)0.5043 (6)0.1556 (4)0.0309 (13)
C2−0.2291 (7)0.3905 (7)0.1535 (5)0.0410 (15)
H2−0.2488010.3239300.1970030.049*
C3−0.3525 (8)0.3717 (8)0.0886 (5)0.0481 (17)
H3−0.4550640.2929990.0890570.058*
C4−0.3294 (8)0.4627 (8)0.0251 (4)0.0484 (18)
H4−0.4142040.445224−0.0201110.058*
C5−0.1797 (7)0.5837 (7)0.0256 (4)0.0364 (14)
C6−0.0541 (7)0.6032 (6)0.0903 (4)0.0306 (13)
C7−0.1439 (9)0.6868 (9)−0.0355 (4)0.0515 (19)
H7−0.2240770.676139−0.0818520.062*
C80.0042 (9)0.8028 (8)−0.0298 (4)0.0437 (16)
H80.0256380.874419−0.0700910.052*
C90.1255 (8)0.8145 (7)0.0371 (4)0.0374 (14)
C100.2865 (8)0.9405 (7)0.0394 (4)0.0464 (16)
H10A0.3187921.0039790.1028640.070*
H10B0.2831861.002740−0.0062920.070*
H10C0.3631700.8975330.0229960.070*
C110.4393 (7)0.8470 (6)0.1900 (4)0.0360 (14)
C120.5934 (6)0.7119 (5)0.3481 (3)0.0223 (10)
C130.6902 (6)0.7255 (5)0.2759 (4)0.0275 (12)
H130.6454940.6984780.2120340.033*
C140.8534 (7)0.7790 (6)0.2970 (4)0.0333 (13)
H140.9197860.7885020.2471690.040*
C150.9194 (6)0.8181 (6)0.3886 (4)0.0348 (13)
H151.0310040.8550360.4026680.042*
C160.8220 (6)0.8031 (6)0.4599 (4)0.0308 (12)
H160.8672610.8292680.5235850.037*
C170.6598 (6)0.7509 (5)0.4409 (4)0.0277 (12)
H170.5941620.7416520.4911300.033*
C180.3154 (6)0.4086 (5)0.3011 (3)0.0211 (10)
C190.4320 (6)0.3592 (6)0.3139 (4)0.0311 (12)
H190.5394540.4309090.3301560.037*
C200.3934 (7)0.2057 (6)0.3032 (4)0.0342 (13)
H200.4745510.1727900.3132940.041*
C210.2386 (6)0.0991 (6)0.2779 (4)0.0283 (12)
H210.212590−0.0065950.2697040.034*
C220.1214 (6)0.1504 (6)0.2648 (4)0.0295 (12)
H220.0139610.0788410.2481590.035*
C230.1599 (6)0.3053 (6)0.2758 (4)0.0275 (11)
H230.0795800.3393220.2660030.033*
C240.2934 (6)0.6701 (5)0.4395 (3)0.0226 (11)
C250.2276 (6)0.5625 (6)0.4944 (4)0.0292 (12)
H250.2148270.4610250.4725370.035*
C260.1801 (6)0.6015 (6)0.5812 (4)0.0320 (13)
H260.1338760.5269850.6187580.038*
C270.2003 (6)0.7489 (6)0.6128 (4)0.0313 (12)
H270.1690090.7761270.6727720.038*
C280.2649 (7)0.8567 (6)0.5589 (4)0.0348 (13)
H280.2779940.9581070.5813890.042*
C290.3116 (6)0.8180 (6)0.4707 (4)0.0293 (12)
H290.3553690.8922030.4325940.035*

Source of material

This complex was synthesized starting with the reduction of hydrated RhCl3 inDMF which was refluxed for approximately 20 min to give a yellow solution of di-μ-chloro-tetracarbonyldirhodium(I), [RhCl(CO)2]2 [5], [6], [7].

The second step is the addition of an equivalent amount of 2-methyl-8-quinolinol ligand (2-mequinH) to the aforementioned yellow solution followed by addition of ice water to precipitate the dicarbonylrhodium(I) complex, [Rh(2-mequin)(CO)2]. [Rh(2-mequin)(CO)(AsPh3)] was synthesized by dissolving [Rh(2-mequin)(CO)2](0.0247 g, 0.0780 mmol) in 5 cm3 of acetone. Triphenylarsine, AsPPh3, (0.0239 g, 0.0780 mmol) was added to the aforementioned solution with stirring. Some ice water was added dropwise to precipitate the product. Yellow needle-shaped crystals were obtained from recrystallization in acetone and a few drops of water.

1H NMR (400 MHz, CDCl3) δ 8.10 (d, J = 8.4 Hz, 1H), 7.86–7.79 (m, 5H), 7.50–7.40 (m, 10H), 7.33 (d, J = 8.4 Hz, 1H), 7.27 (d, J = 7.9 Hz, 1H), 6.89 (dd, J = 7.9, 1.0 Hz, 1H), 6.73 (dd, J = 7.8, 1.1 Hz, 1H), 3.03 (s, 3H).

Experimental details

All H-atoms were positioned on geometrically idealized positions and refined using the riding model with fixed C–H distances for aromatic C–H of 0.93 Å (C–H) [Uiso (H) = 1.2 Ueq], for methyl C–H of 0.96 Å (C–H) [Uiso (H) = 1.5 Ueq]. The graphics were obtained using the DIAMOND [3] program with 50% probability ellipsoids. Some of the hydrogen atoms and hexyl carbon labels have been omitted for clarity.

Comment

The precursor [RhI(I)2(CO)2]− in the Monsanto process is relatively unstable and by modifying this precursor by introducing different bidentate ligands forming [Rh(BID)(CO)2] complexes [where BID denote different monocharged bidentate ligands such as 2-oxopyridine N-oxide, 8-hydroxyquinoline, 2-methyl-8-quinolinol, etc.]. Then one of the CO ligands in this precursor may be substituted by monophosphine or arsine or stibine ligands to form [Rh(BID)(CO)(AX∼3∼)] complexes [where A = P or As or Sb and X3 = Ph3, Ph2Cy, PhCy2, Cy3, etc.] and in most cases, these modified complexes are found to be more stable i.e. altering the electronic and steric properties of the ligand resulting in significant changes in the outcome of the catalytic process. These complexes have been studied intensively for potential application in catalytic hydroformylation, hydrogenation, carbonylation, and decarbonylation [8], [9], [10], [11], [12], [13], [14], [15], [16], [17], [18], [19].

The coordination mode in the title complex is similar to the complexes reported previously [20]. In this structure, the ligands are coordinated to rhodium in a distorted square planar geometry. This distortion of the O1–Rh1–N1 bond angle from 90∘ is indicated by the small bite angle of 79.80(7)∘ of the five membered ring as well as the As1–Rh1–O1, As1–Rh1–C11 and C11–Rh1–N1, angles of 86.54(8), 90.17(8) and 103.51(10)∘, respectively. The Rh1–O1, Rh1–N1, Rh1–As1 and Rh1–C11 bond distances are 2.0336(3), 2.1172(1), 2.3554(3) and 1.7998(3) Å, respectively. The lengthening of Rh1–N1 compared to Rh1–O1 is due to the trans influence of the As atom.

Corresponding author: Mohammed A. Elmakki, Department of Chemistry, University of the Free State, Bloemfontein, 9301, South Africa, E-mail:

Funding source: University of the Free State

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

  2. Research funding: This research was funded by University of the Free State.

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

References

1. Sheldrick, G. M. A short history of SHELX. Acta Crystallogr. 2008, A64, 112–122; https://doi.org/10.1107/s0108767307043930.Suche in Google Scholar

2. Bruker. SAINT–Plus (Version 7.12) and SADABS (Version 2004/1); Bruker AXS Inc.: Madison, Wisconsin, USA, 2004.Suche in Google Scholar

3. Brandenburg, K. DIAMOND. Visual Crystal Structure Information System. Version 3.0c; Crystal Impact: Bonn, Germany, 2005.Suche in Google Scholar

4. Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K., Puschmann, H. OLEX2: a complete structure solution, refinement and analysis program. J. Appl. Crystallogr. 2009, 42, 339–341; https://doi.org/10.1107/s0021889808042726.Suche in Google Scholar

5. Singh, M. M., Szafran, Z., Pike, R. M. Microscale synthesis of trans-chlorocarbonylbis(triphenylphosphine)rhodium(l) and its reactions - a versatile metal carbonyl complex. J. Chem. Educ. 1990, 67, A180–A182; https://doi.org/10.1021/ed067pa261.Suche in Google Scholar

6. Goswami, K., Singh, M. M. Few carbonyl oximato compounds of rhodium. J. Inorg. Nucl. Chem. 1977, 39, 1718–1719; https://doi.org/10.1016/0022-1902(77)80141-3.Suche in Google Scholar

7. Goswami, K., Singh, M. M. Di and monocarbonyl complexes of rhodium(I) containing singly charged bidentate ligands. Transition Met. Chem. 1981, 5, 83–85.10.1007/BF01396876Suche in Google Scholar

8. Elmakki, M. A., Koen, R., Venter, J. A., Drost, R. Crystal structure of dicarbonyl(pyridine-2-olate-1-oxido-κ2O,O′)rhodium(I), C7H4NO4Rh. Z. Kristallogr. NCS 2016, 231, 703–705; https://doi.org/10.1515/ncrs-2015-0240.Suche in Google Scholar

9. Venter, J. A., Leipoldt, J. G., Eldik, R. V. Solvent, temperature, and pressure dependence of oxidative addition of iodomethane to complexes of the type RhI(β-diketone)(CO)(PPh3). Inorg. Chem. 1991, 30, 2207–2209; https://doi.org/10.1021/ic00009a046.Suche in Google Scholar

10. Hallinan, N., Hinnenkamp, J. Catalysis of organic reactions. J. Chem. Ind. 2001, 82, 545.Suche in Google Scholar

11. Basson, S. S., Leipoldt, J. G., Roodt, A., Venter, J. A. Mechanism for the oxidative addition of iodomethane to carbonyl(N-hydroxy-N-nitrosobenzenaminato-O,O′)- triarylphosphinerhodium(I) complexes and crystal structure of [Rh(cupf)(CO)(CH3)(I)(PPh3)]. Inorg. Chim. Acta. 1987, 128, 31–37; https://doi.org/10.1016/s0020-1693(00)84691-5.Suche in Google Scholar

12. Brink, A., Roodt, A., Steyl, G., Visser, H. G. Steric vs. electronic anomaly observed from iodomethane oxidative addition to tertiary phosphine modified rhodium(I) acetylacetonato complexes following progressive phenyl replacement by cyclohexyl [PR3 = PPh3, PPh2Cy, PPhCy2, PCy3]. Dalton Trans. 2010, 39, 5572–5578; https://doi.org/10.1039/b922083f.Suche in Google Scholar PubMed

13. Roodt, A., Visser, H. G., Brink, A. Structure/reactivity relationships and mechanism from X-ray data and spectroscopic kinetic analysis. Crystallogr. Rev. 2011, 17, 241–280; https://doi.org/10.1080/0889311x.2011.593032.Suche in Google Scholar

14. Roodt, A., Otto, S., Steyl, G. Structure & solution behaviour of rhodium(I) Vaska-type complexes for correlation of steric & electronic properties of tertiary phosphine ligands. Coord. Chem. Rev. 2003, 245, 121–137; https://doi.org/10.1016/s0010-8545(03)00069-9.Suche in Google Scholar

15. Warsink, S., Kotze, P. D. R., Janse van Rensburg, J. M., Venter, J. A., Otto, S., Botha, E., Roodt, A. Kinetic-mechanistic and solid-state study of the oxidative addition and migratory insertion of iodomethane to [rhodium(S,O-BdiPT or N,O-ox)(CO)(PR1R2R3)] complexes. Eur. J. Inorg. Chem. 2018, 32, 3615–3625; https://doi.org/10.1002/ejic.201800293.Suche in Google Scholar

16. Elmakki, M. A., Alexander, O. T., Roodt, A. The crystal structure of trans-carbonyl-(diphenylcyclohexyl-phosphine κP)iodidomethyl-(2-oxopyridin-1(2H)-olato-κ2O,O′)rhodium(III), C25H28INO3PRh. Z. Kristallogr. NCS 2020, 235, 279–281; https://doi.org/10.1515/ncrs-2019-0602.Suche in Google Scholar

17. Elmakki, M. A., Alexander, O. T., Venter, G. J. S., Venter, J. A. Crystal structure of carbonyl(2-oxopyridin-1(2H-olato-κ2O,O′) (diphenylcyclohexylphosphine-κP)rhodium(I), C24H25NO3PRh. Z. Kristallogr. NCS 2017, 232, 831–833; https://doi.org/10.1515/ncrs-2017-0066.Suche in Google Scholar

18. Elmakki, M. A., Koen, R., Drost, R. M., Alexander, O. T., Venter, G. J. S., Venter, J. A. Crystal structure of carbonyl(2-oxopyridin-1(2H-olato- κ2O,O′) (triphenylphosphine-κP)rhodium(I), C24H19NO3PRh. Z. Kristallogr. NCS 2016, 231, 781–783; https://doi.org/10.1515/ncrs-2015-0266.Suche in Google Scholar

19. Warsink, S., Kotze, P. D. R., van Rensburg, J. M. J., Venter, J. A., Otto, S., Botha, E., Roodt, A. Kinetic-mechanistic and solid-state study of the oxidative addition and migratory insertion of iodomethane to [Rhodium(S,O-BdiPT or N,O-ox)(CO)(PR1 R2 R3)] complexes. Eur. J. Inorg. Chem. 2018, 32, 3615–3625; https://doi.org/10.1002/ejic.201800293.Suche in Google Scholar

20. Elmakki, M. A., Alexander, O. T., Venter, J. A., Roodt, A. Crystal structure of carbonyl(2-oxopyridin-1(2H)-olato-k2 O,O')(triphenylarsine-kAs)rhodium(I), C24H19AsNO3Rh. Z. Kristallogr. NCS 2020, 0490. https://doi.org/10.1515/NCRS-2020-0494.Suche in Google Scholar

Received: 2020-09-27
Accepted: 2020-10-21
Published Online: 2020-12-10
Published in Print: 2021-01-26

© 2020 Mohammed A. Elmakki et al., 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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  51. The crystal structure of 2,6-difluorophenol, C6H4F2O
  52. 4-(9H-Fluoren-9-yl)-4-methylmorpholin-4-ium bromide, C18H20BrNO
  53. The crystal structure of 2,4-dimethylimidazole monohydrate, C5H10N2O
  54. The crystal structure of 1,2-dimethylimidazole, C5H8N2
  55. The crystal structure of 3-ammonio-4-aminobenzoate, C7H8N2O2 – a second polymorph
  56. The crystal structure of 4-hydroxy-2,5-bis(1-methyl-1H-imidazol-3-ium-2-ylthio)-3,6-dioxocyclohexa-1,4-dienolate chloride monohydrate, C14H15N4O5S2Cl
  57. The crystal structure of butyrylferrocene, C14H16FeO
  58. The crystal structure of bi-1,1′-cyclopentane-1,1′-diol, C10H18O2
  59. The crystal structure of 2-iso-propylimidazole, C6H10N2
  60. The crystal structure of aqua-tris (1,3-diphenylpropane-1,3-dionato-κ2O,O′)-lanthanum(III), C45H35LaO7
  61. Crystal structure of (3E,5E)-3,5-bis-4-methoxy-3-(trifluoromethyl)benzylidene)-1-methylpiperidin-4-one, C24H21F6NO3
  62. The crystal structure of 3,5-dichloro-6-diazo-2,4-dinitrocyclohexa-2,4-dien-1-one, C6Cl2N4O5
  63. Crystal structure of carbonyl(2-methylquinolin-8-olato-κ2N,O)(triphenylarsine-κAs)rhodium(I), C29H23AsNO2Rh
  64. Crystal structure of (1aS,1a1S,2S)-4a-butoxy-1a,1a1,2,4a,5,6-hexahydro-1H-cyclobuta[de]naphthalen-2-yl-4-nitrobenzoate, C22H25NO5
  65. Crystal structure of carbonyl(2-oxopyridin-1(2H)-olato-k2O,O′)(triphenylarsine-κAs)rhodium(I), C24H19AsNO3Rh
  66. Crystal structure of catena-poly[triqua-bis(μ2-4-carboxy-2-(1H-tetrazol-1-yl)-1H-imidazole-5-carboxylato-k3N,O:O′)barium(II)] tetrahydrate, C14H14BaN12O15
  67. Crystal structure of (E)-3′,6′-bis(ethylamino)-2-((quinoxalin-2-ylmethylene)amino)spiro[isoindoline-1,9′-xanthen]-3-one, C35H32N6O2
  68. Crystal structure of diaqua-bis(μ2-5-chloro-salicylato-κ3O,O′:O′)-bis(5-chloro-salicylato-κ2O,O′)-bis(1,10-phenanthroline-κ2N,N′) dilead(II) – water (1/2), C52H36C14N4O14Pb2·2(H2O)
  69. Crystal structure of (E)-2-(4-ethoxycarbonyl-3,5-dimethyl-2-(pyrrole-2-ylmethyleneamino)-3′,6′-dihydroxylspiro[isoindoline-1,9′-xanthen]-3-one-methanol (1/1), C31H29N3O7
  70. The crystal structure of 5H-dibenzo[b,e]azepine-6,11-dione, C14H9NO2
  71. Crystal structure of (E)-2-(4-fluoro-2-(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C19H14F4O2
  72. The crystal structure of N-(2-methoxy-4,5-bis[phenylselanyl]phenyl)picolinamide, C25H20N2O2Se2
  73. The crystal structure of (E)-2-(5-bromo-2-hydroxybenzylidene)-N-phenylhydrazine-1- carboxamide monohydrate, C14H14BrN3O3
  74. Crystal structure of fac-tricarbonyl-(nitrato-k1O)-bis(pyridine-κN)-rhenium, C13H10O6N3Re
  75. Crystal structure of (E)-2-(((1H-pyrrol-2-yl)methylene)amino)-3′,6′-dihydroxyspiro[isoindoline-1,9′-xanthen]-3-one — methanol (1/2), C27H25N3O6
  76. The crystal structure of 4-amino-N′-(4-aminobenzoyl)benzohydrazide monohydrate, C14H16N4O3
  77. Crystal structure of bis(amino(carbamothioylamino)methaniminium) 5-hydroxyisophthalate monohydrate, C12H20N8O6S2
  78. The crystal structure of 2-(chloromethyl)pyridine, C6H6ClN
  79. The crystal structure of 1-bromo-4-iodo-benzene, C6H4BrI
  80. The crystal structure of 2,6-dimethyl-4-nitro-phenol, C8H9NO3
  81. The crystal structure of 3-chloropropionic acid, C3H5ClO2
  82. The crystal structure of 2-(2-methoxyphenyl)acetic acid, C9H10O3
https://doi.org/10.1515/ncrs-2020-0494
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Artikel in diesem Heft

  1. Frontmatter
  2. New Crystal Structures
  3. The crystal structure of 3-oxo-urs-12-en-28-oic acid, C30H46O3·1/6H2O
  4. The crystal structure of (3S,12R,20R,24R)-3,12-diacetyl-20,24-epoxy-dammarane-3,12,25–triol–ethyl acetate (4/1), C34H56O6⋅ 0.25(C4H8O2)
  5. A new polymorph of tetrakis(dimethylammonium) catena-poly[tetrakis(μ2-sulfato-κ2O:O′)dizinc(II)], Zn2C8H32N4O16S4
  6. Crystal structure of 10-oxysophoridine, C15H22N2O2
  7. The crystal structure of (5R,8R,9R,10R,12R,13R,14R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)tetradecahydro-3H-cyclopenta[a]phenanthrene-3,6(2H)-dione, C30H48O4
  8. Synthesis, crystal structure and optical property of 1,6-bis(p-tolylthio)pyrene, C30H22S2
  9. The crystal structure of hexakis(2-(pyridin-2-ylamino)pyridin-1-ium) decavanadate(V) dihydrate, C60H64N18O30V10
  10. Preparation and crystal structure of a cationic olefin polymerization precatalyst: (1,7-bis(2,6–dichlorophenyl)-1,7-di-aza-4-oxo-heptan-1,4,7-triyl)dimethyl zirconium(IV), C18H20Cl4N2OZr
  11. The crystal structure of fac-tricarbonyl(4,4-dimethyl-2,2-dipyridyl-κ2N,N′)- (pyrazole-κN)rhenium(I) nitrate, C18H16O3N4Re
  12. Synthesis and crystal structure of hexaaquacopper(II) 2,5-dicarboxyterephthalate, C10H16O14Cu
  13. The crystal structure of (8R,10R,12R,14R)- 12-hydroxy-16-(5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)- 4,4,8,10,14-pentamethyltetradecahydro-3H- cyclopenta[a]phenanthrene-3,6(2H)-dione, C30H48O5
  14. Structure of the mixed crystal (S)-(6-(bromo/chloro)-2-methoxy-2,6-dihydroquinolin-3-yl)(phenyl)methanol, C17H14Br0.5Cl0.5NO2
  15. The crystal structure of trans-tetraaqua-bis(4-acetylphenoxyacetato-κ1O)manganese(II), C20H26O12Mn
  16. Crystal structure of (E)-2-(4-fluoro-3-(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C19H14F4O2
  17. Crystal structure of DL-α-(methylaminomethyl)benzyl alcohol, C9H13NO
  18. The crystal structure of dipentaerthritol hexanitrate, C10H16N6O19
  19. Crystal structure of N,N-diphenylformamide, C13H11NO
  20. Crystal structure of (E)-2-(3,5-bis(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen- 1(2H)-one, C20H14F6O2
  21. Crystal structure of ortho-methoxy benzaldehyde, C8H8O2 – a second polymorph and deposition of 3D coordinates
  22. Crystal structure of catena-poly[diaqua-bis(μ2-2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)propanoato-κ2O:O')-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)propanoato-κ2O,O')yttrium(III)], C51H79O11Y
  23. Crystal structure of benzylthiouronium chloride, C8H11ClN2S
  24. Synthesis and crystal structure of tert-butyl (2′R,3R,3′R,4a′R,9a′S)-1-acetyl-5-chloro-3″-methyl-2,5″,9′-trioxo-1″-phenyl-1″,4a′,5″,9a′-tetrahydro-1′H,3′H,9′H-dispiro[indoline-3,4′-xanthene-2′,4″-pyrazole]-3′-carboxylate, C36H32ClN3O7
  25. Crystal structure of 2-hydroxy-4-methoxy benzaldehyde, C8H8O3
  26. Crystal structure of poly[diaqua-(m3-3′,5′-dicarboxy-[1,1′-biphenyl]-3,4-dicarboxylato-K4O,O′:O″:O‴) cadmium(II)], C16H11O10Cd
  27. Crystal structure of {tetraaqua-bis(1-(4-hydroxy-2-oxotetrahydrofuran-3-yl)-2-((4aS,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethane-1-sulfonato-k2O,O') calcium(II)}-{triaqua-bis(1-(4-hydroxy-2-oxotetrahydrofuran-3-yl)-2-((4aS,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethane-1-sulfonato-k2O,O') calcium(II)} – water – acetone (1/1/8/2)
  28. Synthesis and crystal structure of bis{2-bromo-6-((E)-((4-((E)-1-(methoxy-imino)ethyl)phenyl)imino)methyl)phenolato- κ2N,O}zinc(II)-methanol(1/2), C65H60Br4N8O9Zn2
  29. Crystal structure of benzenesulphonic acid
  30. Crystal structure of N-benzyl-N-nicotinoyl-nicotine amide C19H15N3O2
  31. Crystal structure of poly[aqua(μ3-2,4-diamino-benzenesulfonato-κ4N:N′,O:O′)silver(I)], C12H18O8N4S2Ag2
  32. Crystal structure of 1,4-bis(methylpyridinium benzene) bis(1,2-dicyanoethene-1,2-dithiolato-κ2S:S)nickel(II), C26H18N6NiS4
  33. Crystal structure of the Cu(II) complex chlorido-(6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxylato-k2N,O)-(phenanthroline-k2N,N')copper(II), C23H15ClCuN4O3
  34. Crystal structure of phenarsazine chloride acetic acid solvate, C14H13AsClNO2
  35. Crystal structure of poly[aqua-(μ2-3,3′,4,5′-biphenyl tetracarboxylate- κ3O,O′:O′′) -(μ2-4,4′-bis(pyrid-4-yl)biphenyl-κ2N:N′)zinc(II)], C27H18NO9Zn
  36. Crystal structure of catena-poly[(μ2-3-amino-benzenedisulfonato-κ2N:O)-bis (3-methyl-isoquinoline-κN)silver(I)], C26H24N3O3SAg
  37. Crystal structure of 2-((4-Aminophenyl)thio)acetic acid, C8H9NO2S
  38. Crystal structure of phenarsazine chloride dimethylsulfoxide solvate, C14H15AsClNOS
  39. Synthesis and crystal structure of 2-azido-N-phenylacetamide, C8H8N4O
  40. Crystal structure of chlorido{hydridotris[3-phenyl-5-methylpyrazol-1-yl-κN3]borato}copper(II), C30H28BClCuN6
  41. Crystal structure of benzanthrone – a redetermination for correct molecular geometry and localization of hydrogen atoms
  42. Crystal structure of 4-bromobenzaldehyde – complete redetermination at 200 K, C7H5BrO
  43. Crystal structure and spectroscopic properties of chlorido{hydridotris[3-,5-dimethylpyrazol-1-yl-κN3]borato}(3-,5-dimethylpyrazol-1-yl-κN)copper(II), C20H30BClCuN8
  44. The crystal structure of 4-((2-hydroxynaphthalen-1-yl)(pyrrolidin-1-yl)methyl)benzonitrile, C22H20N2O
  45. Crystal structure of 4-ethyl-3-phenylisoquinolin-1(2H)-one, C17H15NO
  46. Crystal structure of (tricyclohexylphosphane-κP)-[(Z)-N-(3-fluorophenyl)-O-methylthiocarbamato-k1S]gold(I), C26H40AuFNOPS
  47. Crystal structure of (3S,8R,10R,12R,14R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl) hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate, C32H54O4
  48. The crystal structure of 2-[(S)-1-(naphthalen-1-yl)ethyl]-2,3,7,7a- tetrahydro-3a,6-epoxyisoindol-1(6H)-one, C19H20NO2
  49. Crystal structure of {hydridotris[3-(t-butyl)-5-isopropylpyrazol-1-yl-κN3]borato}thallium(I), C30H52BN6Tl
  50. Synthesis and crystal structure of 1-octyl-3-phenylquinoxalin-2(1H)-one, C22H26N2O
  51. The crystal structure of 2,6-difluorophenol, C6H4F2O
  52. 4-(9H-Fluoren-9-yl)-4-methylmorpholin-4-ium bromide, C18H20BrNO
  53. The crystal structure of 2,4-dimethylimidazole monohydrate, C5H10N2O
  54. The crystal structure of 1,2-dimethylimidazole, C5H8N2
  55. The crystal structure of 3-ammonio-4-aminobenzoate, C7H8N2O2 – a second polymorph
  56. The crystal structure of 4-hydroxy-2,5-bis(1-methyl-1H-imidazol-3-ium-2-ylthio)-3,6-dioxocyclohexa-1,4-dienolate chloride monohydrate, C14H15N4O5S2Cl
  57. The crystal structure of butyrylferrocene, C14H16FeO
  58. The crystal structure of bi-1,1′-cyclopentane-1,1′-diol, C10H18O2
  59. The crystal structure of 2-iso-propylimidazole, C6H10N2
  60. The crystal structure of aqua-tris (1,3-diphenylpropane-1,3-dionato-κ2O,O′)-lanthanum(III), C45H35LaO7
  61. Crystal structure of (3E,5E)-3,5-bis-4-methoxy-3-(trifluoromethyl)benzylidene)-1-methylpiperidin-4-one, C24H21F6NO3
  62. The crystal structure of 3,5-dichloro-6-diazo-2,4-dinitrocyclohexa-2,4-dien-1-one, C6Cl2N4O5
  63. Crystal structure of carbonyl(2-methylquinolin-8-olato-κ2N,O)(triphenylarsine-κAs)rhodium(I), C29H23AsNO2Rh
  64. Crystal structure of (1aS,1a1S,2S)-4a-butoxy-1a,1a1,2,4a,5,6-hexahydro-1H-cyclobuta[de]naphthalen-2-yl-4-nitrobenzoate, C22H25NO5
  65. Crystal structure of carbonyl(2-oxopyridin-1(2H)-olato-k2O,O′)(triphenylarsine-κAs)rhodium(I), C24H19AsNO3Rh
  66. Crystal structure of catena-poly[triqua-bis(μ2-4-carboxy-2-(1H-tetrazol-1-yl)-1H-imidazole-5-carboxylato-k3N,O:O′)barium(II)] tetrahydrate, C14H14BaN12O15
  67. Crystal structure of (E)-3′,6′-bis(ethylamino)-2-((quinoxalin-2-ylmethylene)amino)spiro[isoindoline-1,9′-xanthen]-3-one, C35H32N6O2
  68. Crystal structure of diaqua-bis(μ2-5-chloro-salicylato-κ3O,O′:O′)-bis(5-chloro-salicylato-κ2O,O′)-bis(1,10-phenanthroline-κ2N,N′) dilead(II) – water (1/2), C52H36C14N4O14Pb2·2(H2O)
  69. Crystal structure of (E)-2-(4-ethoxycarbonyl-3,5-dimethyl-2-(pyrrole-2-ylmethyleneamino)-3′,6′-dihydroxylspiro[isoindoline-1,9′-xanthen]-3-one-methanol (1/1), C31H29N3O7
  70. The crystal structure of 5H-dibenzo[b,e]azepine-6,11-dione, C14H9NO2
  71. Crystal structure of (E)-2-(4-fluoro-2-(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C19H14F4O2
  72. The crystal structure of N-(2-methoxy-4,5-bis[phenylselanyl]phenyl)picolinamide, C25H20N2O2Se2
  73. The crystal structure of (E)-2-(5-bromo-2-hydroxybenzylidene)-N-phenylhydrazine-1- carboxamide monohydrate, C14H14BrN3O3
  74. Crystal structure of fac-tricarbonyl-(nitrato-k1O)-bis(pyridine-κN)-rhenium, C13H10O6N3Re
  75. Crystal structure of (E)-2-(((1H-pyrrol-2-yl)methylene)amino)-3′,6′-dihydroxyspiro[isoindoline-1,9′-xanthen]-3-one — methanol (1/2), C27H25N3O6
  76. The crystal structure of 4-amino-N′-(4-aminobenzoyl)benzohydrazide monohydrate, C14H16N4O3
  77. Crystal structure of bis(amino(carbamothioylamino)methaniminium) 5-hydroxyisophthalate monohydrate, C12H20N8O6S2
  78. The crystal structure of 2-(chloromethyl)pyridine, C6H6ClN
  79. The crystal structure of 1-bromo-4-iodo-benzene, C6H4BrI
  80. The crystal structure of 2,6-dimethyl-4-nitro-phenol, C8H9NO3
  81. The crystal structure of 3-chloropropionic acid, C3H5ClO2
  82. The crystal structure of 2-(2-methoxyphenyl)acetic acid, C9H10O3
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