Home Crystal structure of 4-((1,3-dioxoisoindolin-2-yl)methyl)phenethyl 4-methylbenzenesulfonate, C24H21NO5S
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Crystal structure of 4-((1,3-dioxoisoindolin-2-yl)methyl)phenethyl 4-methylbenzenesulfonate, C24H21NO5S

  • Huang Cuicui , Maojian Shi , Jing Liu , Lin Ding and Jinhui Zhou EMAIL logo
Published/Copyright: May 10, 2018
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Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 233 Issue 4

Abstract

C24H21NO5S, monoclinic, P21/c (no. 14), a = 7.7790(16) Å, b = 22.726(5) Å, c = 12.755(3) Å, β = 107.15(3)°, V = 2154.6(9) Å3, Z = 4, Rgt(F2) = 0.0453, wRref(F2) = 0.1371, T = 293.15 K.

CCDC no.: 1445044

The asymmetric unit of the crystal structure is shown in the figure. Tables 1 and 2 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters.

Table 1:

Data collection and handling.

Crystal:Prism, colorless
Size:0.2 × 0.1 × 0.1 mm
Wavelength:Cu Kα radiation (1.54178Å)
μ:1.64 mm−1
Diffractometer, scan mode:Bruker P4, ω-scans
θmax, completeness:68.2°, >98%
N(hkl)measured, N(hkl)unique, Rint:34088, 3896, 0.049
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 2702
N(param)refined:281
Programs:Bruker programs [1], SHELX [2], OLEX2 [3]
Table 2:

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

AtomxyzUiso*/Ueq
S10.65559(9)0.34733(3)0.24221(5)0.0699(2)
O10.4767(2)0.36163(7)0.15066(13)0.0701(5)
O20.2664(3)0.68074(9)0.33844(17)0.0888(6)
O30.6635(3)0.64986(9)0.14344(17)0.0947(6)
O40.7887(3)0.34565(9)0.18642(18)0.0937(6)
O50.6302(3)0.29745(7)0.30401(15)0.0820(5)
N10.4295(3)0.66102(8)0.21802(16)0.0631(5)
C10.3084(4)0.35763(11)0.1777(2)0.0716(7)
H1A0.32190.37490.24920.086*
H1B0.27390.31670.17970.086*
C20.1663(4)0.39033(11)0.0910(2)0.0753(7)
H2A0.04910.38140.09940.090*
H2B0.16730.37660.01920.090*
C30.1937(3)0.45621(11)0.0970(2)0.0652(6)
C40.2810(4)0.48491(12)0.0334(2)0.0750(7)
H40.32170.4636−0.01690.090*
C50.3099(4)0.54502(12)0.0424(2)0.0763(7)
H50.37140.5632−0.00120.092*
C60.2499(3)0.57843(11)0.1140(2)0.0658(6)
C70.2808(4)0.64403(11)0.1223(2)0.0797(8)
H7A0.30610.65780.05640.096*
H7B0.17160.66330.12640.096*
C80.4073(3)0.68039(10)0.3166(2)0.0659(6)
C90.5884(3)0.69838(10)0.3864(2)0.0605(6)
C100.7083(3)0.68803(10)0.3277(2)0.0617(6)
C110.6082(4)0.66426(11)0.2186(2)0.0661(6)
C120.8890(4)0.69958(12)0.3721(3)0.0829(8)
H120.97000.69280.33240.099*
C130.9460(4)0.72160(13)0.4778(3)0.0937(10)
H131.06760.72930.51020.112*
C140.8263(5)0.73219(13)0.5355(3)0.0947(10)
H140.86820.74740.60620.114*
C150.6434(4)0.72084(12)0.4910(2)0.0810(8)
H150.56210.72810.53030.097*
C160.1563(4)0.55021(12)0.1761(2)0.0772(7)
H160.11100.57190.22390.093*
C170.1292(4)0.48979(12)0.1677(2)0.0764(7)
H170.06650.47150.21050.092*
C180.6882(3)0.40947(10)0.32704(19)0.0636(6)
C190.7033(4)0.46419(12)0.2835(2)0.0824(8)
H190.69360.46800.20940.099*
C200.7328(4)0.51305(12)0.3503(2)0.0877(9)
H200.74310.54980.32050.105*
C210.7473(4)0.50863(11)0.4598(2)0.0764(7)
C220.7303(4)0.45350(12)0.5019(2)0.0843(8)
H220.73850.44970.57580.101*
C230.7014(4)0.40377(11)0.4360(2)0.0752(7)
H230.69120.36700.46550.090*
C240.7813(5)0.56234(13)0.5339(3)0.1015(10)
H24A0.90630.56400.57490.152*
H24B0.70980.55980.58360.152*
H24C0.74910.59720.49000.152*

Source of material

To a mixture of 2-[[4-(2-hydroxyethyl)phenyl]methyl]-1H-isoindole-1,3(2H)-dione (2.81 g, 10 mmol), potassium carbonate K2CO3 (4.15 g, 30 mmol) and 60 mL dry CH2Cl2, a solution of tosyl chloride (2.10 g, 11 mmol) in 30 mL CH2Cl2 was added dropwise at about 0 °C. The reaction mixture was stirred and maintained at a certain heated temperature for 1 to 4 h, until TLC indicated the end of reaction. The solvent was removed under reduced pressure. The residue was purified by silica gel column chromatography using ethyl acetate/petroleum ether (1:8, v/v) as the eluent. The title compound was afforded as a white solid.

Experimental details

All H atoms were placed in geometrically idealized positions and refined using a riding model, with C—H = 0.97 (methylene), 0.93 Å(benzene), and with Uiso(H) = 1.2Ueq(C) for H atoms on methylene and benzene. The hydrogens on terminal methyls were constrained with C—H = 0.97 Å and Uiso(H) = 1.5Ueq(C).

Discussion

The arylpiperazine moiety is an important pharmacophore, which is widely demonstrated to have pharmacological activities [4], [5]. Naftopidil is a derivative of arylpiperazine ether and a specific antagonist targeted for the adrenergic receptor [6], which has alreadly been regarded as one of the most commonly utilized antagonists targeted for the adrenergic receptor to treat the benign prostatic hyperplasia (BPH) in Japan [7]. The title compound is a pivotal intermediate for some arylpiperazine derivatives [8], [9].

The asymmetric unit contains only one molecule. The title compound contained three aryl and a pyrrole moiety. Ring (C9—C10—C12—C13—C14—C15) and ring (C8—C9—C10—C11—N1) are coplanar. The dihedral angles made by the planes of (C9—C10—C12—C13—C14—C15) and (C3—C4—C5—C6—C16—C17), (C9—C10—C12—C13—C14—C15) and (C18—C23), (C9—C10—C12—C13—C14—C15) and (C18—C23) are 114.93(9)°, 33.86(10)° and 103.52(10)°, respectively. The packing shows no classical hydrogen bonds. There is at least one non-classical hydrogen bond between O2 and C12i (symmetry code (i): −1 + x, y, z) with D⋯A = 3.119 Å. Weak π-π interactions were observed between ring (C3—C4—C5—C6—C16—C17) and ringii (C3—C4—C5—C6—C16—C17) with symmetry code (ii) −x, 1 − y, − z.

Acknowledgements

This project was supported by the Natural Science Foundation of Shandong Province, China (No. ZR2011HL003).

References

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Received: 2018-01-07
Accepted: 2018-04-25
Published Online: 2018-05-10
Published in Print: 2018-07-26

©2018 Huang Cuicui et al., published by De Gruyter, Berlin/Boston

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

Articles in the same Issue

  1. Cover and Frontmatter
  2. Crystal structure of (E)-1-(4-(((E)-2-hydroxy-5-methylbenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C17H18N2O2
  3. Crystal structure of 1,3,5,7-tetraazaadamantane-1,3-diium 2,5-dicarboxyterephthalate, C16H18N4O8
  4. Crystal structure of guanidinium tetrabutyl-ammonium 5-hydroxyisophthalate dihydrate, C25H50N4O7
  5. Crystal structure of poly[aqua-(μ2-5-methoxyisophthalate-κ3O,O′:O′′)-(μ2-1,4-bis((1H-1,2,4-triazol-1-yl)methyl)benzene-κ2N:N′)nickel(II), NiC21H20N6O6
  6. Crystal structure of aqua-bis(3,4-dimethoxybenzoato-κ1O)-(2,2′-bipyridine-κ2N,N′)copper(II), C28H26CuN2O9
  7. Crystal structure of catena-poly[aqua-(μ2-(3,5-di(1H-imidazol-1-yl)-pyridine-κ2N:N′)-(μ2-2-(carboxylatomethyl)benzoato-κ2O:O′)] cadmium(II), C20H17CdN5O5
  8. The crystal structure of catena-poly[chlorido-(μ2-5-methyl-1,3,4-thiadiazole-2-thiolato-κ2S:N)mercury(II)], C3H3ClHgN2S2
  9. Crystal structure of (E)-2,4-dichloro-6-(((4-methyl-2-nitrophenyl)imino)methyl)phenol, C14H10Cl2N2O3
  10. Crystal structure of a new polymorph of bis[μ-1,3-bis(diphenylphosphino)propane-κ2P:P′-disilver(I)] bis(tetrafluoroborate), [Ag(dppp)]2(BF4)2, C54H52Ag2B2F8P4
  11. The crystal structure of 2-phenyl-4,6-bis(R-tert-butylsulfonamido)-1,3,5-triazine – ethyl acetate (2/1), C38H58N10O6S4
  12. Crystal structure of 6-amino-8-(2-methoxy-phenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-iso-quinoline-5,7,7-tricarbonitrile monohydrate, C20H21N5O2
  13. Crystal structure of methyl (1-phenylethyl)carbamate, C10H13NO2
  14. Crystal structure of dimethanol-(μ2-squarato-κ2O:O′)-tetrakis(tri-p-tolylphosphane-κP)disilver(I) – methanol (1/2), C92H98Ag2O8P4
  15. Crystal structure of catena-poly[bis(μ2-1,4-bis(triazol-1-ylmethyl)benzene-κ2N:N′)-bis(5-tert-butyl-isophthalate-κO)copper(II)]tetrahydrate, C36H46CuN6O12
  16. Crystal structure of 4-aminopyridinium 4-acetyl-(pyridin-4-yl)-1H-1,2,3-triazol-5-olate monohydrate, C14H16N6O3
  17. Crystal structure of 2-(8-bromo-2-phenylimidazo[1,2-α]pyridin-3-yl)-6,7-dimethyl-3-phenylquinoxaline, C29H21BrN4
  18. Crystal structure of aqua(1-(2-pyridyl)ethanone oxime-κ2N,N′)(1-(2-pyridyl)ethanone oximato-κ2N,N′) nitrate monohydrate, C14H19N5O7Cu
  19. Crystal structure of poly[tetraaqua-(μ4-oxalato-κ4O,O′:O′′,O′′′)-(μ8-benzene-1,2,4,5-tetracarboxylato-κ8O1:O2:O3:O4:O5:O6:O7:O8)yttrium(III)], C6H5O8Y
  20. Crystal structure of bis{catena-poly[(μ2-1,2-bis(4-pyridyl)ethane-κ2N:N′)silver(I)]} diaqua-bis(5-(4-carboxyphenyl)pyridine-2-carboxylato-κ2N,O)-(μ2-1,2-bis(4-pyridyl)ethane-κ2N:N′)disilver(I) octahydrate, C31H35Ag2N4O9
  21. Crystal structure of (E)-N-(2-(benzylamino)-2-oxo-1-(4-oxo-4H-chromen-3-yl)ethyl)-N-(4-bromophenyl)-3-chloroacrylamide hydrate, C27H22BrClN2O5
  22. Crystal structure of catena-poly[octaaqua-bis(μ2-4,6-dicarboxyisophthalate-κ2O:O′)cadmium(II)disodium(I)] dihydrate, C20H28CdNa2O26
  23. Crystal structure of acetonitrile{bis(2-benzimidazolylmethyl)amine-κ3N,N′,N′′}-{maleato-κO}zinc(II) perchlorate - acetonitrile (1/1), C24H24ClN7O8Zn
  24. Crystal structure of 2-amino-4-(3,5-dibromo-4-hydroxyphenyl)-7-methyl-5-oxo-2H,5H-pyrano[4,3-b]pyran-3-carbonitrile, C16H10Br2N2O4
  25. Crystal structure of catena-poly[diaqua-(μ2-3,5-bis(pyridin-4-ylmethoxy)benzoate-κ2N:O) manganese(II)] tetrahydrate [(3,5-bis-(pyridin-4-ylmethoxy)-benzoic-κ1Oκ1N) manganese(II)] trihydrate, C38H42MnN4O14
  26. The crystal structure of 2-carboxybenzaldehyde-2-phenylacetohydrazone, C16H14N2O3
  27. The crystal structure of poly[μ2-aqua-(μ2-2-naphthylamine-1-sulfonato-κ3O,O′:O′′)sodium(I)], C10H10N1O4S1Na
  28. The crystal structure of phthalazin-1(2H)-one, C8H6N2O1
  29. Crystal structure of 3,5-bis(trifluoromethyl)benzyl(Z)-N-(adamantan-1-yl)morpholine-4-carbothioimidate, C24H28F6N2OS
  30. Crystal structure of diazido-bis(μ2-pyridin-2-ylmethanolato-κ2N:O)-bis(pyridin-2-ylmethanolato-κ2N,O)dicobalt(III) – methanol (1/3), C27H35Co2N10O7
  31. Crystal structure of N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinesulfonamide, C14H14F3N5O6S
  32. Crystal structure of 1-phenyl-N′-(1-phenyl-5-(thiophen-2-yl)-1H-pyrazole-3-carbonyl)-5-(thiophen-2-yl)-1H-pyrazole-3-carbohydrazide, C28H20N6O2S2
  33. The crystal structure of poly[bis(4-hydroxybenzoato-κO)-(μ2-4,4′-bipyridine-κ2N:N′)copper(II)] hydrate, C24H20N2O7Cu
  34. Crystal structure of poly[μ3-5-(4-(2,6-di(pyridine-2-yl)pyridine-4-yl)phenoxy)isophthalato-κ5O:O′,O′′:N,N′,N′′cobalt(II)], C29H17CoN3O5
  35. Crystal structure of poly[μ3-5-(4-(2,6-di(pyridine-2-yl)pyridine-4-yl)phenoxy)isophthalato-κ6O:O′,O′′:N,N′,N′′)cobalt(II)] C29H17CoN3O5
  36. Crystal structure of diaqua-(acetato-κ3O,O′:O′′)-(μ3-4,6-di(1H-imidazol-1-yl)isophthalato-κ4O:O′:O′′,O′′′)lanthanum(III), C16H15LaN4O8
  37. Synthesis and crystal structure of 6-carboxy-1-(3,5-dicarboxyphenyl)-1H-benzo[d]imidazol-3-ium-5-carboxylate dihydrate, C18H12N2O8
  38. Crystal structure of (E)-2-hydroxybenzaldehyde O-(2-(((E)-(4-(dimethylamino)benzylidene)amino)oxy)ethyl)oxime, C18H21N3O3
  39. Crystal structure of bis{2-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2N,O}zinc(II), C32H30N4O4Zn
  40. Crystal structure of bis(9-aminoacridin-10-ium) tetrachloridocuprate(II) monohydrate, C26H24Cl4CuN4O
  41. The crystal structure of 4-tert-butyl-N′-[(E)-(4-fluoro-3-methoxyphenyl)methylidene]benzohydrazide, C19H21F1N2O2
  42. Crystal structure of (E)-3-(3-(5-methyl-1-4-tolyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)-1-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)prop-2-en-1-one, C31H26N8O
  43. Crystal structure of (E)-N′-(4-methoxybenzylidene)-5-methyl-1-(4-tolyl)-1H-1,2,3-triazole-4-carbohydrazide, C19H19N5O2
  44. Crystal structure and molecular packing of O-ethyl (2-chlorophenyl)carbamothioate, C9H10ClNOS
  45. Crystal structure of pyrene-2-carbaldehyde, C17H10O
  46. Crystal structure of (E)-2,4-diiodo-6-(4-methyl-2-nitrostyryl)phenol, C14H10I2N2O3
  47. Crystal structure of (E)-2,4-dichloro-6-(((4-methoxy-2-nitrophenyl)imino)methyl)phenol, C14H10Cl2N2O4
  48. Crystal structure of (E)-2-bromo-4-chloro-6-(4-methoxy-2-nitrostyryl)phenol, C14H10BrClN2O4
  49. Crystal structure of (E)-4,6-diiodo-2-(((4-methoxy-2-nitrophenyl)imino)methyl)-3-methylphenol, C14H10I2N2O4
  50. The crystal structure of 7-bromo-1-cyclopropyl-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid an intermediate of the ozenoxacin synthesis, C14H12BrNO3
  51. Crystal structure of bis(N-(1-(pyrazin-2-yl)ethylidene)nicotinohydrazonato-κ3N,N′,O)copper(II) C24H20N10O2Cu
  52. Crystal structure of diaqua-dinitrato-k2O,O′((Z)-N-((E)-1-(pyrazin-2-yl)ethylidene)nicotinohydrazonato-k3N,N′,O)europium(II), C12H14N7O9Eu
  53. Crystal structure of ethyl 4-amino-5-(5-methyl-1-(4-tolyl)-1H-1,2,3-triazole-4-carbonyl)-2-(phenylamino)thiophene-3-carboxylate, C24H23N5O3S
  54. The crystal structure of acridin-10-ium2-carboxybenzoate, C21H15NO4
  55. The crystal structure of 3-((phenylamino)methylene)-1,5-dioxaspiro[5.5]undecane-2,4-dione, C16H17N1O4
  56. Crystal structure of 12-chloro-5,6,7,12-tetrahydrodibenzo[c,f][1,5]oxastibocine, C14H12ClOSb
  57. Crystal structure of 4-((1,3-dioxoisoindolin-2-yl)methyl)phenethyl 4-methylbenzenesulfonate, C24H21NO5S
  58. Crystal structure of 3-methyl-2,3-dihydro-2-thioxoquinazolin-4(1H)-one, C9H8N2OS
  59. Crystal structure of tert-butyl (2-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethyl)carbamate, C15H19N3O3S
  60. Crystal structure of ethyl 5-formyl-3,4-dimethylpyrrole-2-carboxylate–1-(propan-2-ylidene)thiosemicarbazide (1/1), C14H22N4O3S
  61. Crystal structure of bis-(N′-(5-ethoxycarbonyl-3,4-dimethyl-pyrrol-2-yl-methylidene)-3-hydroxybenzohydrazide-κ2O,N)copper(II) – dimethylformamide (1/2), C40H50N8O10Cu
  62. Crystal structure of bis(acetato-κO)bis{2-((1H-tetrazol-1-yl)methyl)-1H-benzo[d]imidazole-κN}zinc(II), C22H22N12O4Zn
  63. Crystal structure of 4-phenyl-3-((4-phenyl-1H-1,2,3-triazol-1-yl)methyl)-1H-1,2,4-triazole-5(4H)-thione, C17H14N6S
  64. Crystal structure of (Z)-N-(4-nitrophenyl)-3-phenyl-3-(phenylamino)acrylamide, C21H17N3O3
  65. Crystal structure of 1,1′-(pentane-1,5-diyl)bis(3-methyl-1H-imidazol-3-ium)bis(hexafluorophosphate), C13H22F12N4P2
  66. Synthesis and crystal structure of bis(furan-2-ylmethanaminium)-catena-[bis(μ2-phthalato-κ2O:O′)cobalt(II)], C26H24CoN2O10
  67. Crystal structure of methyl (R)-4-(o-chlorobenzoyl)-1-thia-4-azaspiro[4.5]decane-3-carboxylate, C17H20ClNO3S
  68. Crystal structure of 2-[[4-[2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]phenyl] methyl]-1H-isoindole-1,3(2H)-dione, C28H29N3O3
  69. The crystal structure of benzenaminium 5,7-dihydroxy-4-oxo-2-phenyl-4H-chromene-8-sulfonate hydrate, C21H19NO8S
  70. Crystal structure of semiconducting potassium poly[(μ2-tetraselenido-κ2Se1:Se4)(μ2-pentaselenido-κ1Se1:Se1)argentate(I)], K3AgSe9
  71. Crystal structure of 2-isopropyl-8-methyl-phenanthrene-3,4-dione, C18H16O2
  72. Crystal structure of 2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione, C19H22O2
  73. Crystal structure of (E)-2-(1-((2-aminophenyl)imino)ethyl)-4-bromophenol, C14H13BrN2O
  74. Crystal structure of 1,1-di(4-cyanophenyl)-2,2-diphenylethene, C28H18N2
  75. Crystal structure of bis(hydroxylamido-κ2O,N)-oxido(1H-pyrazole-3-carboxylato-κ2O,N)vanadium(V), C4H7N4O5V
  76. The crystal structure of In1.2B3O5.6(OH)1.4
  77. The crystal structure of chlorido(2-(1H-pyrazol-3-yl)phenolato-κ2N,O)(2-(1H-pyrazol-3-yl)phenol-κN)copper(II), C18H15ClCuN4O2
  78. Crystal structure of 1-heptylpyridazin-1-ium iodide, C11H19N2I
  79. The crystal structure of N-butylpyridinium bis(μ2-dichlorido)-tetrachloridodicopper(II), C18H28N2Cu2Cl6
  80. Crystal structure of 6-hydroxy-5-((2-hydroxy-6-oxocyclohex-1-en-1-yl)(4-methoxyphenyl)methyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione, C20H22N2O6
  81. Crystal structure of bis(acetonitrile)-diaqua-dichloridoiron(II), C4H10Cl2N2O2Fe
https://doi.org/10.1515/ncrs-2018-0010
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Articles in the same Issue

  1. Cover and Frontmatter
  2. Crystal structure of (E)-1-(4-(((E)-2-hydroxy-5-methylbenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C17H18N2O2
  3. Crystal structure of 1,3,5,7-tetraazaadamantane-1,3-diium 2,5-dicarboxyterephthalate, C16H18N4O8
  4. Crystal structure of guanidinium tetrabutyl-ammonium 5-hydroxyisophthalate dihydrate, C25H50N4O7
  5. Crystal structure of poly[aqua-(μ2-5-methoxyisophthalate-κ3O,O′:O′′)-(μ2-1,4-bis((1H-1,2,4-triazol-1-yl)methyl)benzene-κ2N:N′)nickel(II), NiC21H20N6O6
  6. Crystal structure of aqua-bis(3,4-dimethoxybenzoato-κ1O)-(2,2′-bipyridine-κ2N,N′)copper(II), C28H26CuN2O9
  7. Crystal structure of catena-poly[aqua-(μ2-(3,5-di(1H-imidazol-1-yl)-pyridine-κ2N:N′)-(μ2-2-(carboxylatomethyl)benzoato-κ2O:O′)] cadmium(II), C20H17CdN5O5
  8. The crystal structure of catena-poly[chlorido-(μ2-5-methyl-1,3,4-thiadiazole-2-thiolato-κ2S:N)mercury(II)], C3H3ClHgN2S2
  9. Crystal structure of (E)-2,4-dichloro-6-(((4-methyl-2-nitrophenyl)imino)methyl)phenol, C14H10Cl2N2O3
  10. Crystal structure of a new polymorph of bis[μ-1,3-bis(diphenylphosphino)propane-κ2P:P′-disilver(I)] bis(tetrafluoroborate), [Ag(dppp)]2(BF4)2, C54H52Ag2B2F8P4
  11. The crystal structure of 2-phenyl-4,6-bis(R-tert-butylsulfonamido)-1,3,5-triazine – ethyl acetate (2/1), C38H58N10O6S4
  12. Crystal structure of 6-amino-8-(2-methoxy-phenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-iso-quinoline-5,7,7-tricarbonitrile monohydrate, C20H21N5O2
  13. Crystal structure of methyl (1-phenylethyl)carbamate, C10H13NO2
  14. Crystal structure of dimethanol-(μ2-squarato-κ2O:O′)-tetrakis(tri-p-tolylphosphane-κP)disilver(I) – methanol (1/2), C92H98Ag2O8P4
  15. Crystal structure of catena-poly[bis(μ2-1,4-bis(triazol-1-ylmethyl)benzene-κ2N:N′)-bis(5-tert-butyl-isophthalate-κO)copper(II)]tetrahydrate, C36H46CuN6O12
  16. Crystal structure of 4-aminopyridinium 4-acetyl-(pyridin-4-yl)-1H-1,2,3-triazol-5-olate monohydrate, C14H16N6O3
  17. Crystal structure of 2-(8-bromo-2-phenylimidazo[1,2-α]pyridin-3-yl)-6,7-dimethyl-3-phenylquinoxaline, C29H21BrN4
  18. Crystal structure of aqua(1-(2-pyridyl)ethanone oxime-κ2N,N′)(1-(2-pyridyl)ethanone oximato-κ2N,N′) nitrate monohydrate, C14H19N5O7Cu
  19. Crystal structure of poly[tetraaqua-(μ4-oxalato-κ4O,O′:O′′,O′′′)-(μ8-benzene-1,2,4,5-tetracarboxylato-κ8O1:O2:O3:O4:O5:O6:O7:O8)yttrium(III)], C6H5O8Y
  20. Crystal structure of bis{catena-poly[(μ2-1,2-bis(4-pyridyl)ethane-κ2N:N′)silver(I)]} diaqua-bis(5-(4-carboxyphenyl)pyridine-2-carboxylato-κ2N,O)-(μ2-1,2-bis(4-pyridyl)ethane-κ2N:N′)disilver(I) octahydrate, C31H35Ag2N4O9
  21. Crystal structure of (E)-N-(2-(benzylamino)-2-oxo-1-(4-oxo-4H-chromen-3-yl)ethyl)-N-(4-bromophenyl)-3-chloroacrylamide hydrate, C27H22BrClN2O5
  22. Crystal structure of catena-poly[octaaqua-bis(μ2-4,6-dicarboxyisophthalate-κ2O:O′)cadmium(II)disodium(I)] dihydrate, C20H28CdNa2O26
  23. Crystal structure of acetonitrile{bis(2-benzimidazolylmethyl)amine-κ3N,N′,N′′}-{maleato-κO}zinc(II) perchlorate - acetonitrile (1/1), C24H24ClN7O8Zn
  24. Crystal structure of 2-amino-4-(3,5-dibromo-4-hydroxyphenyl)-7-methyl-5-oxo-2H,5H-pyrano[4,3-b]pyran-3-carbonitrile, C16H10Br2N2O4
  25. Crystal structure of catena-poly[diaqua-(μ2-3,5-bis(pyridin-4-ylmethoxy)benzoate-κ2N:O) manganese(II)] tetrahydrate [(3,5-bis-(pyridin-4-ylmethoxy)-benzoic-κ1Oκ1N) manganese(II)] trihydrate, C38H42MnN4O14
  26. The crystal structure of 2-carboxybenzaldehyde-2-phenylacetohydrazone, C16H14N2O3
  27. The crystal structure of poly[μ2-aqua-(μ2-2-naphthylamine-1-sulfonato-κ3O,O′:O′′)sodium(I)], C10H10N1O4S1Na
  28. The crystal structure of phthalazin-1(2H)-one, C8H6N2O1
  29. Crystal structure of 3,5-bis(trifluoromethyl)benzyl(Z)-N-(adamantan-1-yl)morpholine-4-carbothioimidate, C24H28F6N2OS
  30. Crystal structure of diazido-bis(μ2-pyridin-2-ylmethanolato-κ2N:O)-bis(pyridin-2-ylmethanolato-κ2N,O)dicobalt(III) – methanol (1/3), C27H35Co2N10O7
  31. Crystal structure of N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinesulfonamide, C14H14F3N5O6S
  32. Crystal structure of 1-phenyl-N′-(1-phenyl-5-(thiophen-2-yl)-1H-pyrazole-3-carbonyl)-5-(thiophen-2-yl)-1H-pyrazole-3-carbohydrazide, C28H20N6O2S2
  33. The crystal structure of poly[bis(4-hydroxybenzoato-κO)-(μ2-4,4′-bipyridine-κ2N:N′)copper(II)] hydrate, C24H20N2O7Cu
  34. Crystal structure of poly[μ3-5-(4-(2,6-di(pyridine-2-yl)pyridine-4-yl)phenoxy)isophthalato-κ5O:O′,O′′:N,N′,N′′cobalt(II)], C29H17CoN3O5
  35. Crystal structure of poly[μ3-5-(4-(2,6-di(pyridine-2-yl)pyridine-4-yl)phenoxy)isophthalato-κ6O:O′,O′′:N,N′,N′′)cobalt(II)] C29H17CoN3O5
  36. Crystal structure of diaqua-(acetato-κ3O,O′:O′′)-(μ3-4,6-di(1H-imidazol-1-yl)isophthalato-κ4O:O′:O′′,O′′′)lanthanum(III), C16H15LaN4O8
  37. Synthesis and crystal structure of 6-carboxy-1-(3,5-dicarboxyphenyl)-1H-benzo[d]imidazol-3-ium-5-carboxylate dihydrate, C18H12N2O8
  38. Crystal structure of (E)-2-hydroxybenzaldehyde O-(2-(((E)-(4-(dimethylamino)benzylidene)amino)oxy)ethyl)oxime, C18H21N3O3
  39. Crystal structure of bis{2-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2N,O}zinc(II), C32H30N4O4Zn
  40. Crystal structure of bis(9-aminoacridin-10-ium) tetrachloridocuprate(II) monohydrate, C26H24Cl4CuN4O
  41. The crystal structure of 4-tert-butyl-N′-[(E)-(4-fluoro-3-methoxyphenyl)methylidene]benzohydrazide, C19H21F1N2O2
  42. Crystal structure of (E)-3-(3-(5-methyl-1-4-tolyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)-1-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)prop-2-en-1-one, C31H26N8O
  43. Crystal structure of (E)-N′-(4-methoxybenzylidene)-5-methyl-1-(4-tolyl)-1H-1,2,3-triazole-4-carbohydrazide, C19H19N5O2
  44. Crystal structure and molecular packing of O-ethyl (2-chlorophenyl)carbamothioate, C9H10ClNOS
  45. Crystal structure of pyrene-2-carbaldehyde, C17H10O
  46. Crystal structure of (E)-2,4-diiodo-6-(4-methyl-2-nitrostyryl)phenol, C14H10I2N2O3
  47. Crystal structure of (E)-2,4-dichloro-6-(((4-methoxy-2-nitrophenyl)imino)methyl)phenol, C14H10Cl2N2O4
  48. Crystal structure of (E)-2-bromo-4-chloro-6-(4-methoxy-2-nitrostyryl)phenol, C14H10BrClN2O4
  49. Crystal structure of (E)-4,6-diiodo-2-(((4-methoxy-2-nitrophenyl)imino)methyl)-3-methylphenol, C14H10I2N2O4
  50. The crystal structure of 7-bromo-1-cyclopropyl-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid an intermediate of the ozenoxacin synthesis, C14H12BrNO3
  51. Crystal structure of bis(N-(1-(pyrazin-2-yl)ethylidene)nicotinohydrazonato-κ3N,N′,O)copper(II) C24H20N10O2Cu
  52. Crystal structure of diaqua-dinitrato-k2O,O′((Z)-N-((E)-1-(pyrazin-2-yl)ethylidene)nicotinohydrazonato-k3N,N′,O)europium(II), C12H14N7O9Eu
  53. Crystal structure of ethyl 4-amino-5-(5-methyl-1-(4-tolyl)-1H-1,2,3-triazole-4-carbonyl)-2-(phenylamino)thiophene-3-carboxylate, C24H23N5O3S
  54. The crystal structure of acridin-10-ium2-carboxybenzoate, C21H15NO4
  55. The crystal structure of 3-((phenylamino)methylene)-1,5-dioxaspiro[5.5]undecane-2,4-dione, C16H17N1O4
  56. Crystal structure of 12-chloro-5,6,7,12-tetrahydrodibenzo[c,f][1,5]oxastibocine, C14H12ClOSb
  57. Crystal structure of 4-((1,3-dioxoisoindolin-2-yl)methyl)phenethyl 4-methylbenzenesulfonate, C24H21NO5S
  58. Crystal structure of 3-methyl-2,3-dihydro-2-thioxoquinazolin-4(1H)-one, C9H8N2OS
  59. Crystal structure of tert-butyl (2-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethyl)carbamate, C15H19N3O3S
  60. Crystal structure of ethyl 5-formyl-3,4-dimethylpyrrole-2-carboxylate–1-(propan-2-ylidene)thiosemicarbazide (1/1), C14H22N4O3S
  61. Crystal structure of bis-(N′-(5-ethoxycarbonyl-3,4-dimethyl-pyrrol-2-yl-methylidene)-3-hydroxybenzohydrazide-κ2O,N)copper(II) – dimethylformamide (1/2), C40H50N8O10Cu
  62. Crystal structure of bis(acetato-κO)bis{2-((1H-tetrazol-1-yl)methyl)-1H-benzo[d]imidazole-κN}zinc(II), C22H22N12O4Zn
  63. Crystal structure of 4-phenyl-3-((4-phenyl-1H-1,2,3-triazol-1-yl)methyl)-1H-1,2,4-triazole-5(4H)-thione, C17H14N6S
  64. Crystal structure of (Z)-N-(4-nitrophenyl)-3-phenyl-3-(phenylamino)acrylamide, C21H17N3O3
  65. Crystal structure of 1,1′-(pentane-1,5-diyl)bis(3-methyl-1H-imidazol-3-ium)bis(hexafluorophosphate), C13H22F12N4P2
  66. Synthesis and crystal structure of bis(furan-2-ylmethanaminium)-catena-[bis(μ2-phthalato-κ2O:O′)cobalt(II)], C26H24CoN2O10
  67. Crystal structure of methyl (R)-4-(o-chlorobenzoyl)-1-thia-4-azaspiro[4.5]decane-3-carboxylate, C17H20ClNO3S
  68. Crystal structure of 2-[[4-[2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]phenyl] methyl]-1H-isoindole-1,3(2H)-dione, C28H29N3O3
  69. The crystal structure of benzenaminium 5,7-dihydroxy-4-oxo-2-phenyl-4H-chromene-8-sulfonate hydrate, C21H19NO8S
  70. Crystal structure of semiconducting potassium poly[(μ2-tetraselenido-κ2Se1:Se4)(μ2-pentaselenido-κ1Se1:Se1)argentate(I)], K3AgSe9
  71. Crystal structure of 2-isopropyl-8-methyl-phenanthrene-3,4-dione, C18H16O2
  72. Crystal structure of 2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione, C19H22O2
  73. Crystal structure of (E)-2-(1-((2-aminophenyl)imino)ethyl)-4-bromophenol, C14H13BrN2O
  74. Crystal structure of 1,1-di(4-cyanophenyl)-2,2-diphenylethene, C28H18N2
  75. Crystal structure of bis(hydroxylamido-κ2O,N)-oxido(1H-pyrazole-3-carboxylato-κ2O,N)vanadium(V), C4H7N4O5V
  76. The crystal structure of In1.2B3O5.6(OH)1.4
  77. The crystal structure of chlorido(2-(1H-pyrazol-3-yl)phenolato-κ2N,O)(2-(1H-pyrazol-3-yl)phenol-κN)copper(II), C18H15ClCuN4O2
  78. Crystal structure of 1-heptylpyridazin-1-ium iodide, C11H19N2I
  79. The crystal structure of N-butylpyridinium bis(μ2-dichlorido)-tetrachloridodicopper(II), C18H28N2Cu2Cl6
  80. Crystal structure of 6-hydroxy-5-((2-hydroxy-6-oxocyclohex-1-en-1-yl)(4-methoxyphenyl)methyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione, C20H22N2O6
  81. Crystal structure of bis(acetonitrile)-diaqua-dichloridoiron(II), C4H10Cl2N2O2Fe
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