Home The crystal structure of (2,2′-bipyridine-κ2N,N′)- bis(6-phenylpyridine-2-carboxylate-κ2N,O)manganese(II)] monohydrate, C34H26N4O5Mn
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The crystal structure of (2,2′-bipyridine-κ2N,N′)- bis(6-phenylpyridine-2-carboxylate-κ2N,O)manganese(II)] monohydrate, C34H26N4O5Mn

  • Xi-Shi Tai ORCID logo EMAIL logo and Li-Hua Wang
Published/Copyright: May 12, 2022
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Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 237 Issue 4

Abstract

C34H26N4O5Mn, monoclinic, C2/c (no. 15), a = 29.4330(18) Å, b = 10.4120(6) Å, c = 20.0207(12) Å, β = 107.246(6)°, V = 5859.6(6) Å3, Z = 8, R gt (F) = 0.0380, wR ref (F2) = 0.0865, T = 200 K.

CCDC no.: 2169905

The molecular structure is shown in 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 block
Size: 0.13 × 0.11 × 0.10 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 0.50 mm−1
Diffractometer, scan mode: SuperNova, ω
θmax, completeness: 25.0°, 99%
N(hkl)measured, N(hkl)unique, Rint: 12,338, 5098, 0.031
Criterion for Iobs, N(hkl)gt: Iobs > 2σ(Iobs), 4194
N(param)refined: 400
Programs: Bruker [1], Olex2 [2], SHELX [3], CrysAlisPRO [4]
Table 2:

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

Atom x y z Uiso*/Ueq
Mn1 0.37807 (2) 0.43142 (3) 0.30545 (2) 0.02237 (11)
O1 0.38599 (5) 0.50595 (16) 0.40672 (7) 0.0334 (4)
O2 0.35953 (5) 0.49287 (18) 0.50022 (7) 0.0430 (4)
O3 0.36618 (5) 0.59596 (15) 0.24053 (8) 0.0314 (4)
O4 0.39641 (5) 0.77791 (15) 0.21317 (8) 0.0336 (4)
N1 0.37197 (6) 0.29853 (17) 0.21492 (8) 0.0251 (4)
N2 0.38528 (6) 0.22550 (18) 0.34772 (9) 0.0262 (4)
N3 0.45280 (5) 0.52288 (17) 0.32239 (8) 0.0220 (4)
N4 0.30241 (6) 0.41577 (16) 0.32208 (8) 0.0215 (4)
C1 0.39946 (7) 0.6769 (2) 0.24683 (10) 0.0253 (5)
C2 0.44662 (7) 0.6454 (2) 0.30033 (10) 0.0243 (5)
C3 0.48084 (8) 0.7391 (2) 0.32451 (12) 0.0325 (5)
H3 0.475718 0.822610 0.307502 0.039*
C4 0.52276 (8) 0.7062 (2) 0.37439 (12) 0.0381 (6)
H4 0.545919 0.768056 0.392630 0.046*
C5 0.52983 (8) 0.5810 (2) 0.39674 (12) 0.0333 (6)
H5 0.557993 0.557168 0.430013 0.040*
C6 0.49473 (7) 0.4905 (2) 0.36937 (10) 0.0248 (5)
C7 0.50193 (7) 0.3533 (2) 0.38936 (11) 0.0276 (5)
C8 0.48914 (8) 0.2586 (2) 0.33824 (12) 0.0337 (6)
H8 0.475584 0.281799 0.291707 0.040*
C9 0.49642 (9) 0.1301 (3) 0.35600 (15) 0.0462 (7)
H9 0.488297 0.067377 0.321406 0.055*
C10 0.51578 (9) 0.0952 (3) 0.42528 (17) 0.0545 (8)
H10 0.520107 0.008912 0.437489 0.065*
C11 0.52868 (9) 0.1887 (3) 0.47630 (15) 0.0516 (7)
H11 0.541602 0.164937 0.522864 0.062*
C12 0.52259 (8) 0.3171 (3) 0.45888 (12) 0.0394 (6)
H12 0.532254 0.379437 0.493458 0.047*
C13 0.37552 (7) 0.1310 (2) 0.29929 (10) 0.0259 (5)
C14 0.36972 (8) 0.0049 (2) 0.31701 (13) 0.0391 (6)
H14 0.363330 −0.059004 0.283042 0.047*
C15 0.37350 (9) −0.0251 (3) 0.38575 (13) 0.0467 (7)
H15 0.368877 −0.108934 0.398367 0.056*
C16 0.38415 (9) 0.0702 (3) 0.43487 (13) 0.0449 (7)
H16 0.387340 0.052048 0.481513 0.054*
C17 0.39004 (8) 0.1932 (2) 0.41427 (11) 0.0340 (6)
H17 0.397723 0.257301 0.448127 0.041*
C18 0.37255 (7) 0.1708 (2) 0.22656 (10) 0.0249 (5)
C19 0.37129 (8) 0.0829 (2) 0.17441 (12) 0.0379 (6)
H19 0.371897 −0.004749 0.183533 0.045*
C20 0.36910 (9) 0.1271 (3) 0.10853 (12) 0.0447 (7)
H20 0.367814 0.069118 0.072657 0.054*
C21 0.36884 (9) 0.2566 (3) 0.09614 (12) 0.0408 (6)
H21 0.367896 0.287914 0.052247 0.049*
C22 0.37002 (7) 0.3393 (2) 0.15052 (10) 0.0310 (5)
H22 0.369428 0.427189 0.142162 0.037*
C23 0.35482 (8) 0.4804 (2) 0.43699 (11) 0.0291 (5)
C24 0.30783 (7) 0.4261 (2) 0.39139 (10) 0.0244 (5)
C25 0.27337 (8) 0.3874 (2) 0.42120 (11) 0.0335 (6)
H25 0.277907 0.397960 0.468863 0.040*
C26 0.23224 (8) 0.3328 (3) 0.37925 (12) 0.0380 (6)
H26 0.208790 0.304268 0.398257 0.046*
C27 0.22632 (7) 0.3211 (2) 0.30880 (12) 0.0330 (6)
H27 0.198808 0.283708 0.279840 0.040*
C28 0.26136 (7) 0.3651 (2) 0.28072 (10) 0.0244 (5)
C29 0.25381 (7) 0.3635 (2) 0.20402 (10) 0.0255 (5)
C30 0.26418 (8) 0.4722 (2) 0.17105 (11) 0.0316 (5)
H30 0.277834 0.543242 0.197668 0.038*
C31 0.25442 (8) 0.4762 (3) 0.09889 (12) 0.0405 (6)
H31 0.261174 0.549901 0.077342 0.049*
C32 0.23470 (9) 0.3708 (3) 0.05920 (12) 0.0429 (6)
H32 0.228332 0.372987 0.010853 0.051*
C33 0.22454 (9) 0.2632 (3) 0.09106 (13) 0.0465 (7)
H33 0.211272 0.192088 0.064192 0.056*
C34 0.23381 (8) 0.2589 (2) 0.16303 (12) 0.0394 (6)
H34 0.226542 0.185130 0.184017 0.047*
O5 0.36059 (7) 0.7588 (2) 0.06569 (9) 0.0549 (5)
H5A 0.358793 0.681576 0.051234 0.082*
H5B 0.371939 0.759905 0.110035 0.082*

Source of material

The title compound was synthesized similar to that reported in the literature [5]. In 15 mL distilled H2O, 199.2 mg 6-phenylpyridine-2-carboxylic acid (1.0 mmol), 122.5 mg Mn(O2CMe)2·4H2O (0.5 mmol) and 40 mg NaOH (1.0 mmol) were dissolved with stirring. Then 78 mg 2,2′-bipyridine (0.5 mmol) and 15 mL ethanol were added to the above solution and the resulting mixture was gradually heated up to 75 °C and remained at this temperature for further reaction for 6 h. After the reaction was stopped and cooled naturally to room temperature, it was filtered. The yellow crystals of the title compound were obtained in one weeks. Anal. Calcd. for C34H26N4O5Mn: C, 65.22; H, 4.16; N, 8.95. Found: C, 64.96; H, 4.49; N, 8.67.

Experimental details

The hydrogen atoms were positioned geometrically (C–H = 0.93 Å and O–H = 0.85 Å). Their U iso values were set to 1.2U eq or 1.5U eq of the parent atoms.

Comment

Studies on the synthesis, structural characterization and property of Mn(II) complexes have attracted great interest during the past decades [6]. They exhibited structural diversities and a wide range of potential applications including electrocatalytic properties [7], antioxidant activity [8], electrochemical oxygen reduction reaction [9], fluorescence studies and cytotoxicity [10]. As an excellent multidentate ligand, 6-phenylpyridine-2-carboxylic acid has a strong affinity for many metal ions. Up to now, our group reported its Co(II), Cu(II), Zn(II) and Pb(II) complexes and determined their crystal structures [11], [12], [13], [14], [15]. To continue to investigate its coordination behavior with other metal ions, a new Mn(II) complex has been synthesized and structural characterized. The Mn(II) complex consists of a Mn(II) ion, two 6-phenylpyridine-2-carboxylate ligands, one 2,2′-bipyridine ligand, and one lattice water molecule. The molecular structure is shown in figure, it shows that the coordination mode of 2,2′-bipyridine and 6-phenylpyridine-2-carboxylate ligands is the same as reported for other complexes [5, 14, 15]. In the title structure both two 6-phenylpyridine-2-carboxylate ligands and one 2,2′-bipyridine ligand are coordinated to Mn(II) with a bidentate chelating fashion by four pyridine nitrogens and two oxygens of carboxylate groups. The Mn(II) is six-coordinated with two nitrogen atoms (N3 and N4), two oxygen atoms (O1 and O3) from two 6-phenylpyridine-2-carboxylate ligands, and two nitrogen atoms (N1 and N2) from one 2,2′-bipyridine ligand, giving a distorted octahedral coordination geometry. The bond angle of O3–Mn1–N2 is 164.73(6)° and the sum of bond angles N1–Mn1–N4 (102.66(6)°), N4–Mn1–O1 (74.34(5)°), N3–Mn1–O1 (83.09(6)°) and N1–Mn1–N3 (102.46(6)°) equals 362.55° indicates the Mn1 is on the center of the N1–N4–O1–N3 plane. All the Mn–O and Mn–N distances are 2.1182(14) Å (Mn1–O1), 2.1160(15) Å (Mn1–O3), 2.2448(17) Å (Mn1–N1), 2.2916(18) Å (Mn1–N2), 2.3276(16) Å (Mn1–N3), 2.3530(16) Å (Mn1–N4), respectively. The intermolecular hydrogen-bonding (O–H⋯O) interactions allow the complex molecule to form a one-dimensional chain structure.

Corresponding author: Xi-Shi Tai, College of Chemistry and Chemical Engineering, Weifang University, Weifang, Shandong 261061, P. R. China, E-mail:

Funding source: National Natural Science Foundation of China

Award Identifier / Grant number: 21171132

Funding source: Natural Science Foundation of Shandong

Award Identifier / Grant number: ZR2014BL003

Funding source: Shandong Province Higher Educational Science and Technology Program

Award Identifier / Grant number: J14LC01

Funding source: Science Foundation of Weifang

Award Identifier / Grant number: 2020ZJ1054

Acknowledgements

This project was supported by the National Natural Science Foundation of China (No. 21171132, https://doi.org/10.13039/501100001809), the Natural Science Foundation of Shandong (ZR2014BL003, https://doi.org/10.13039/501100007129), the Project of Shandong Province Higher Educational Science and Technology Program (J14LC01, https://doi.org/10.13039/501100015642) and Science Foundation of Weifang (2020ZJ1054).

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

  2. Research funding: National Natural Science Foundation of China (No. 21171132, https://doi.org/10.13039/501100001809), the Natural Science Foundation of Shandong (ZR2014BL003, https://doi.org/10.13039/501100007129), the Project of Shandong Province Higher Educational Science and Technology Program (J14LC01, https://doi.org/10.13039/501100015642) and Science Foundation of Weifang (2020ZJ1054).

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

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Received: 2021-03-15
Accepted: 2022-05-02
Published Online: 2022-05-12
Published in Print: 2022-08-26

© 2022 Xi-Shi Tai and Li-Hua Wang, published by De Gruyter, Berlin/Boston

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

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  48. The crystal structure of 17-(bromoethynyl)-17-hydroxy-10, 13-dimethyl- 1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one, C21H27BrO2
  49. The crystal structure of 4-((6-fluoropyridin-2-yloxy)methyl)benzonitrile, C13H9FN2O
  50. Crystal structure of (Z)-2-(1-bromo-2-phenylvinyl)-5-ethyl-2-methyl-1,3-dioxane-5-carboxylic acid, C15H17Br1O4
  51. Crystal structure of catena-poly[tribenzyl-κ1C-(μ2-6-oxidopyridin-1-ium-3-carboxylato-κ2O:O’)tin(IV)-dichloromethane-methanol (1/1/1), C29H31Cl2NO4Sn
  52. Crystal structure of bis{2-(tert-butyl)-6-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2N,O}zinc(II), C40H46N4O4Zn
  53. Crystal structure of diaqua-bis(μ2-2-carboxy-3,4,5,6-tetrafluorobenzoato-κ2O:O′)-bis(phenanthroline-κ2N,N′)-bis(μ2-3,4,5,6-tetrafluorophthalato-κ3O:O,O′)dieuropium(III) – phenanthroline (1/2), C40H19EuF8N4O9
  54. The crystal structure of diaqua-bis(6-phenylpyridine-2-carboxylato-κ2N,O) manganese(II) — water — dimethylformamide (1/2/1), C27H31N3O9Mn
  55. The crystal structure of bis(pyrazolo[1,5-a]pyrimidine-3-carboxylato-κ2N,O)-copper(ii), C14H8N6O4Cu
  56. Crystal structure of poly[(μ2-1-(1-imidazolyl)-4-(imidazol-1-ylmethyl)benzene-κ2N:N′)-(μ3-pyridazine-4,5-dicarboxylate-κ3O:O′:N)]copper(II) hydrate, C19H16CuN6O5
  57. Crystal structure of acrinidinium tetrafluorohydrogenphthalate, C21H11F4NO4
  58. Crystal structure of 2-(1H-pyrazol-3-yl-κN)pyridine-κN-bis(2-(2,4-difluorophenyl)pyridinato-κ2C,N)iridium(III) sesquihydrate, C30H18F4IrN5·1.5[H2O]
  59. Crystal structure of 2-(2-hydroxy-5-nitrophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid, C12H13N1O7
  60. The crystal structure of 1,2-bis(pyridinium-4-yl)ethane diperchlorate, C12H14N2·2ClO4 – a second polymorph
  61. The crystal structure of [(1,10-phenantroline-κ2N,N′)-bis(6-phenylpyridine-2-carboxylato-κ2N,O)manganese(II)] monohydrate, C36H26N4O5Mn
  62. Crystal structure of 1,2-bis(2,2,3,3,5,5,5-heptamethyl-1,1,4,4- tetrakis(trimethylsilyl)pentasilan-1-yl)ditellane, C38H114Si18Te2
  63. Crystal structure of 1,2-bis(2,4-dinitro-1H-imidazol-1-yl)ethane – dimethylformamide (1/1), C11H13N9O9
  64. Crystal structure of (Z)-3-((tert-butylamino) methylene)-2-(2-hydroxynaphthalen-1-yl) chroman-4-one, C24H23NO3
  65. Synthesis and crystal structure of (E)-1-(4-(((E)-3-(tert-butyl)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-ethyl oxime, C21H26N2O2
  66. Crystal structure of the double salt bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane hydrogen oxalate hemioxalate, C8H11N8O6
  67. Hydrothermal synthesis and crystal structure of catena-poly[diaqua-bis(μ2-4-[(4-pyridinylmethyl)amino]benzoato-κ2N:O)cobalt(II)]–1,2bi(4-pyridyl)ethene–water (1/1/1), C50H50N8O8Co
  68. Crystal structure of 3-(3-bromophenyl)-1′,3′-dimethyl-2′H,3H,4H-spiro[furo[3, 2-c]chromene-2,5′-pyrimidine]-2′,4,4′,6′(1′H,3′H) tetraone, C22H15BrN2O6
  69. The crystal structure of poly[aqua-(μ2-4,4′- bis(imidazolyl)biphenyl-κ2N:N′)-(μ2-3-nitrobenzene-1,2-dicarboxylato-κ2O:O′)]copper (II) hydrate, C26H21N5O8Cu
  70. The crystal structure of bis(4-(6-carboxy-8-ethyl-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2- yl)piperazin-1-ium) adipate tetrahydrate, C36H52F2N8O14
  71. Synthesis and crystal structure of poly[aqua(μ4-(1R,2S,4R)-4-hydroxy-1-((7-hydroxy-3-(4-hydroxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)pyrrolidin-1-ium-2-carboxylate-κ4O:O′:O″:O‴)sodium(I)] monohydrate, C21H22NNaO12S
  72. Crystal structure of chlorido-(η6-toluene)(2,2′-bipyridine-κ2N,N′)ruthenium(II) hexafluorophosphate, C17H16ClN2RuPF6
  73. The crystal structure of (R)-6-hydroxy-8-methoxy-3-methylisochroman-1-one, C11H12O4
  74. Crystal structure of catena-poly[(5,5,7,12,12,14-hexamethyl -1,4,8,11-tetraazacyclotetradecane- κ4N,N′,Nʺ,N‴)nickel(II)-(μ2-perchlorato-κ2O:O′)] 3,5-dicarboxybenzoate – methanol (1/2), C27H49ClN4NiO12
  75. The crystal structure of 4-(chloromethyl)benzonitrile, C8H6ClN
  76. The crystal structure of dimethylammonium 8-[(7,9-dioxo-6,10-dioxaspiro[4.5]decan-8-ylidene)methyl]-9-oxo-6,10-dioxaspiro[4.5]dec-7-en-7-olate, C19H25NO8
  77. Crystal structure of (2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-((1-acetyl-5-bromo-4-chloro-1H-indol-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate hemihydrate C24H25BrClNO11
  78. The crystal structure of the co-crystal tetrakis[2-(tris(4-methoxyphenyl)stannyl)ethyl]silane – tetrahydrofuran – toluene – tetrahydrofurane (1/1/1), C103H116O13SiSn4
  79. Crystal structure of methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate, C16H13NO4
  80. Crystal structure of ethyl (Z)-3-amino-2-cyano-3-(2-oxo-2H-chromen-3-yl)acrylate, C15H12N2O4
  81. Crystal structure of methyl 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate, C15H11NO4
  82. Crystal structure of catena-poly[diaqua-bis(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2N:N′)cobalt(II)] tetrafluoroterephthalate, C26H28N8O6F4Co
https://doi.org/10.1515/ncrs-2022-0125
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Articles in the same Issue

  1. Frontmatter
  2. New Crystal Structures
  3. Crystal structure of N-((3s,5s,7s)-adamantan-1-yl)-2-(3-benzoylphenyl)propanamide, C26H29NO2
  4. The crystal structure of bis(μ2-5-chloro-2-oxido-N-(1-oxidopropylidene)benzohydrazonato-κ5 N,O,O′:N′,O′′)-octakis(pyridine-κ1 N)trinickel(II) C60H56Cl2N12Ni3O6
  5. The crystal structure of 3-(4-chlorophenyl)-1,5-di-p-tolylpentane-1,5-dione, C25H23ClO2
  6. The crystal structure of 2,4,4-triphenyl-4H-benzo[b][1,4]oxaphosphinin-4-ium bromide – dichloromethane (1/1), C27H22BrCl2OP
  7. The crystal structure of 2-(3,6-di-tert-butyl-1,8-diiodo-9H-carbazol-9-yl)acetonitrile, C22H24I2N2
  8. Crystal structure of 3-phenylpropyl 2-(6-methoxynaphthalen-2-yl)propanoate, C23H24O3
  9. The crystal structure of (4-fluorophenyl)(5-(hydroxymethyl)furan-2-yl)methanol, C12H11FO3
  10. Crystal structure of the dihydrate of tetraethylammonium 1,3,5-thiadiazole-5-amido-2-carbamate, C11H27N5O4S
  11. Crystal structure of (Z)-4-[(p-tolylamino)(furan-2-yl)methylene]-3-phenyl-1-1-p-tolyl-1H-phenyl-1H-pyrazol-5(4H)-one, C28H23N3O2
  12. The crystal structure of (E)-3-(2-chlorophenyl)-1-ferrocenylprop-2-en-1-one, C19H15ClFeO
  13. The pseudosymmetric crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium hexachloridostannate(IV), C10H16N2SnCl6
  14. Crystal structure of (2-(1-hydroxyheptyl)octahydro-8aH-chromene-5,8,8a-triol), C16H30O5
  15. The crystal structure of N-cyclohexyl-3-hydroxy-4-methoxybenzamide, C14H19NO3
  16. Crystal structure of 1-(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol from Arundina graminifolia, C22H20O4
  17. The crystal structure of N-cyclopentyl-3-hydroxy-4-methoxybenzamide, C13H17NO3
  18. The crystal structure of 2,5,5-triphenyl-3,5-dihydro-4H-imidazol-4-one, C21H16N2O
  19. Crystal structure of 1H-1,2,3-Triazolo[4,5-b]-pyridin-4-ium nitrate, C5H5N5O3
  20. Crystal structure of (Z)-4-(((4-bromophenyl)amino)(furan-2-yl)methylene)-2,5-diphenyl-2,4-dihydro-3H-pyrazol-3-one, C26H18BrN3O2
  21. Crystal structure of 2-(4-methoxyphenyl)-3-methyl-1,8-naphthyridine, C16H14N2O
  22. The crystal structure of 3-([1,1′-biphenyl]-2-yl)-1,2-diphenylbenzo[b]phosphole-1-oxide, C32H23OP
  23. The crystal structure of ammonium (E)-4-((4-carboxyphenyl)diazenyl)benzoate, C14H13N3O4
  24. Crystal structure of bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane sulfate, C5H10N8O4S
  25. The crystal structure of phenantroline-κ2 N,N′-bis(6-phenylpyridine-2-carboxylato-κ2 N,O)copper(II), C36H24N4O4Cu
  26. The crystal structure of tris(6-methylpyridin-2-yl)phosphine oxide, C18H18N3OP
  27. The crystal structure of N-(2′-hydroxymethyl-5′-phenyl-3′,4′-dihydro-[1,1′:3′,1″-terphenyl]- 1′(2′H)-yl)-P,P-diphenylphosphinic amide, C37H34NO2P
  28. Crystal structure of (E)-4-(6-(4-(2-(pyridin-4-yl)vinyl)phenoxy)pyrimidin-4-yl)morpholine, C21H20N4O2
  29. Crystal structure of 5-(adamantan-1-yl)-3-[(4-trifluoromethylanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione, C20H22F3N3OS
  30. Crystal structure of 2,2-dichloro-1-(4-chloro-1H-indol-1-yl)ethan-1-one, C10H6Cl3NO
  31. The crystal structure of 4-(((3-bromo-5-(trifluoromethyl)pyridin-2-yl)oxy)methyl)benzonitrile, C28H16Br2F6N4O2
  32. The crystal structure of 1H-benzimidazole-2-carboxamide, C8H7N3O
  33. The crystal structure of Histidinium hydrogensquarate, C10H11N3O6
  34. The crystal structure of 3-amino-5-carboxypyridin-1-ium iodide, C6H7IN2O2
  35. Crystal structure of (E)-amino(2-(3-ethoxy-4-hydroxybenzylidene)hydrazineyl)methaniminium nitrate hemihydrate C10H16N5O5.5
  36. Crystal structure of 1,2-bis(4,5-dinitro-1H-imidazol-1-yl)ethane, C8H6N8O8
  37. The crystal structure of diaqua-bis(pyrazolo[1,5-a]pyrimidine-3-carboxylato-κ2N,O)manganese(II), C14H12N6O6Mn
  38. The crystal structure of catena-poly[aqua-2,2′bipyridine-κ2N,N′-(μ2-5-ethoxyisophthalato-κ 4O,O′:Oʺ,O′ʺ)cadmium(II)] monohydrate, C20H20CdN2O7
  39. The crystal structure of (1S,3R)-1-(4-isopropylphenyl)-3-(methoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-iumchloride monohydrate, C22H27ClN2O3
  40. Crystal structure of 1-isopropyl-3-(prop-1-en-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, C11H15N5
  41. The crystal structure of (2,2′-bipyridine-κ2N,N′)- bis(6-phenylpyridine-2-carboxylate-κ2N,O)manganese(II)] monohydrate, C34H26N4O5Mn
  42. Crystal structure of the cocrystal 1,3,5,7-tetranitro-1,3,5,7-tetrazoctane ─ 2,3-dihydroindole (1/1), C12H17N9O8
  43. Crystal structure of 3-acetyl-6-hydroxy-2H-chromen-2-one monohydrate, C11H10O5
  44. Crystal structure of 6,9-diamino-2-ethoxyacridinium 3,5-dinitrobenozate — dimethylsulfoxide — water (1/1/1), C24H27N5O9S
  45. The crystal structure of 4,4′-bipyridinium bis-(2-hydroxy-3-methoxybenzoate), 2(C8H7.68O4)·C10H8.64N2
  46. Crystal structure of (Z)-4-(((4-fluorophenyl)amino)(furan-2-yl)methylene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
  47. The crystal structure of bis(4-chloro-2-(((2-chloroethyl)imino)methyl)phenolato-κ2N,O)-oxidovanadium(IV), C18H16Cl4N2O3V
  48. The crystal structure of 17-(bromoethynyl)-17-hydroxy-10, 13-dimethyl- 1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one, C21H27BrO2
  49. The crystal structure of 4-((6-fluoropyridin-2-yloxy)methyl)benzonitrile, C13H9FN2O
  50. Crystal structure of (Z)-2-(1-bromo-2-phenylvinyl)-5-ethyl-2-methyl-1,3-dioxane-5-carboxylic acid, C15H17Br1O4
  51. Crystal structure of catena-poly[tribenzyl-κ1C-(μ2-6-oxidopyridin-1-ium-3-carboxylato-κ2O:O’)tin(IV)-dichloromethane-methanol (1/1/1), C29H31Cl2NO4Sn
  52. Crystal structure of bis{2-(tert-butyl)-6-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2N,O}zinc(II), C40H46N4O4Zn
  53. Crystal structure of diaqua-bis(μ2-2-carboxy-3,4,5,6-tetrafluorobenzoato-κ2O:O′)-bis(phenanthroline-κ2N,N′)-bis(μ2-3,4,5,6-tetrafluorophthalato-κ3O:O,O′)dieuropium(III) – phenanthroline (1/2), C40H19EuF8N4O9
  54. The crystal structure of diaqua-bis(6-phenylpyridine-2-carboxylato-κ2N,O) manganese(II) — water — dimethylformamide (1/2/1), C27H31N3O9Mn
  55. The crystal structure of bis(pyrazolo[1,5-a]pyrimidine-3-carboxylato-κ2N,O)-copper(ii), C14H8N6O4Cu
  56. Crystal structure of poly[(μ2-1-(1-imidazolyl)-4-(imidazol-1-ylmethyl)benzene-κ2N:N′)-(μ3-pyridazine-4,5-dicarboxylate-κ3O:O′:N)]copper(II) hydrate, C19H16CuN6O5
  57. Crystal structure of acrinidinium tetrafluorohydrogenphthalate, C21H11F4NO4
  58. Crystal structure of 2-(1H-pyrazol-3-yl-κN)pyridine-κN-bis(2-(2,4-difluorophenyl)pyridinato-κ2C,N)iridium(III) sesquihydrate, C30H18F4IrN5·1.5[H2O]
  59. Crystal structure of 2-(2-hydroxy-5-nitrophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid, C12H13N1O7
  60. The crystal structure of 1,2-bis(pyridinium-4-yl)ethane diperchlorate, C12H14N2·2ClO4 – a second polymorph
  61. The crystal structure of [(1,10-phenantroline-κ2N,N′)-bis(6-phenylpyridine-2-carboxylato-κ2N,O)manganese(II)] monohydrate, C36H26N4O5Mn
  62. Crystal structure of 1,2-bis(2,2,3,3,5,5,5-heptamethyl-1,1,4,4- tetrakis(trimethylsilyl)pentasilan-1-yl)ditellane, C38H114Si18Te2
  63. Crystal structure of 1,2-bis(2,4-dinitro-1H-imidazol-1-yl)ethane – dimethylformamide (1/1), C11H13N9O9
  64. Crystal structure of (Z)-3-((tert-butylamino) methylene)-2-(2-hydroxynaphthalen-1-yl) chroman-4-one, C24H23NO3
  65. Synthesis and crystal structure of (E)-1-(4-(((E)-3-(tert-butyl)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-ethyl oxime, C21H26N2O2
  66. Crystal structure of the double salt bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane hydrogen oxalate hemioxalate, C8H11N8O6
  67. Hydrothermal synthesis and crystal structure of catena-poly[diaqua-bis(μ2-4-[(4-pyridinylmethyl)amino]benzoato-κ2N:O)cobalt(II)]–1,2bi(4-pyridyl)ethene–water (1/1/1), C50H50N8O8Co
  68. Crystal structure of 3-(3-bromophenyl)-1′,3′-dimethyl-2′H,3H,4H-spiro[furo[3, 2-c]chromene-2,5′-pyrimidine]-2′,4,4′,6′(1′H,3′H) tetraone, C22H15BrN2O6
  69. The crystal structure of poly[aqua-(μ2-4,4′- bis(imidazolyl)biphenyl-κ2N:N′)-(μ2-3-nitrobenzene-1,2-dicarboxylato-κ2O:O′)]copper (II) hydrate, C26H21N5O8Cu
  70. The crystal structure of bis(4-(6-carboxy-8-ethyl-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2- yl)piperazin-1-ium) adipate tetrahydrate, C36H52F2N8O14
  71. Synthesis and crystal structure of poly[aqua(μ4-(1R,2S,4R)-4-hydroxy-1-((7-hydroxy-3-(4-hydroxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)pyrrolidin-1-ium-2-carboxylate-κ4O:O′:O″:O‴)sodium(I)] monohydrate, C21H22NNaO12S
  72. Crystal structure of chlorido-(η6-toluene)(2,2′-bipyridine-κ2N,N′)ruthenium(II) hexafluorophosphate, C17H16ClN2RuPF6
  73. The crystal structure of (R)-6-hydroxy-8-methoxy-3-methylisochroman-1-one, C11H12O4
  74. Crystal structure of catena-poly[(5,5,7,12,12,14-hexamethyl -1,4,8,11-tetraazacyclotetradecane- κ4N,N′,Nʺ,N‴)nickel(II)-(μ2-perchlorato-κ2O:O′)] 3,5-dicarboxybenzoate – methanol (1/2), C27H49ClN4NiO12
  75. The crystal structure of 4-(chloromethyl)benzonitrile, C8H6ClN
  76. The crystal structure of dimethylammonium 8-[(7,9-dioxo-6,10-dioxaspiro[4.5]decan-8-ylidene)methyl]-9-oxo-6,10-dioxaspiro[4.5]dec-7-en-7-olate, C19H25NO8
  77. Crystal structure of (2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-((1-acetyl-5-bromo-4-chloro-1H-indol-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate hemihydrate C24H25BrClNO11
  78. The crystal structure of the co-crystal tetrakis[2-(tris(4-methoxyphenyl)stannyl)ethyl]silane – tetrahydrofuran – toluene – tetrahydrofurane (1/1/1), C103H116O13SiSn4
  79. Crystal structure of methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate, C16H13NO4
  80. Crystal structure of ethyl (Z)-3-amino-2-cyano-3-(2-oxo-2H-chromen-3-yl)acrylate, C15H12N2O4
  81. Crystal structure of methyl 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate, C15H11NO4
  82. Crystal structure of catena-poly[diaqua-bis(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2N:N′)cobalt(II)] tetrafluoroterephthalate, C26H28N8O6F4Co
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