Startseite The crystal structure of 1-phenyl-N-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide-dimethylformamide (1/1) C22H10Br4N4O3S
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The crystal structure of 1-phenyl-N-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide-dimethylformamide (1/1) C22H10Br4N4O3S

  • Mohammed A. Baashen , Bakr F. Abdel-Wahab , Amany S. Hegazy , Benson M. Kariuki und Gamal A. El-Hiti ORCID logo EMAIL logo
Veröffentlicht/Copyright: 18. Dezember 2020
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Zeitschrift für Kristallographie - New Crystal Structures
Aus der Zeitschrift Zeitschrift für Kristallographie - New Crystal Structures Band 236 Heft 2

Abstract

C22H10Br4N4O3S, monoclinic, P21/c (no. 14), a = 9.3725(6) Å, b = 20.0436(12) Å, c = 15.3281(11) Å, β = 102.896(6)°, V = 2806.9(3) Å3, Z = 4, Rgt(F) = 0.0575, wRref(F2) = 0.1566, T = 296 K.

CCDC no.: 2049436

The molecular structure is shown in the figure. Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters.

Table 1:

Data collection and handling.

Crystal:Colourless block
Size:0.41 × 0.32 × 0.21 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:5.85 mm−1
Diffractometer, scan mode:SuperNova, ω
θmax, completeness:29.8°, 99%
N(hkl)measured, N(hkl)unique, Rint:23925, 6975, 0.051
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 4306
N(param)refined:354
Programs:CrysAlisPRO [1], SHELX [2], [3], WinGX/ORTEP [4]
Table 2:

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

AtomXYzUiso*/Ueq
C10.3083 (5)0.6298 (2)0.1206 (4)0.0475 (12)
C20.1607 (5)0.6155 (2)0.0648 (3)0.0412 (11)
C30.0852 (5)0.5758 (2)0.1148 (3)0.0417 (11)
C40.1825 (6)0.5627 (2)0.2043 (4)0.0493 (12)
C50.0951 (6)0.6389 (2)−0.0187 (3)0.0460 (11)
C6−0.0518 (6)0.6221 (3)−0.0527 (3)0.0508 (13)
C7−0.1275 (6)0.5820 (2)−0.0044 (3)0.0498 (12)
C8−0.0602 (5)0.5586 (2)0.0801 (3)0.0452 (11)
C90.4315 (5)0.6582 (2)0.3253 (3)0.0469 (12)
C100.5649 (5)0.6670 (2)0.3971 (3)0.0452 (12)
C110.5900 (5)0.7179 (2)0.4606 (3)0.0456 (12)
H110.5270870.7525000.4668980.055*
C120.7281 (5)0.7059 (2)0.5120 (3)0.0433 (11)
C130.8070 (5)0.7430 (2)0.5895 (3)0.0417 (11)
C140.7455 (5)0.7895 (2)0.6354 (3)0.0484 (12)
H140.6474510.8017870.6197720.058*
C150.8472 (6)0.8167 (3)0.7090 (4)0.0520 (13)
H150.8225460.8480740.7478820.062*
C160.9835 (6)0.7925 (3)0.7167 (3)0.0529 (13)
H161.0636700.8057950.7607620.063*
C170.9180 (5)0.6184 (2)0.5026 (3)0.0432 (11)
C181.0233 (6)0.6309 (3)0.4555 (4)0.0582 (14)
H181.0052840.6607750.4079200.070*
C191.1569 (7)0.5985 (4)0.4796 (4)0.0735 (18)
H191.2293100.6063460.4480540.088*
C201.1818 (7)0.5548 (3)0.5500 (5)0.0714 (19)
H201.2710370.5326370.5654750.086*
C211.0780 (7)0.5434 (3)0.5977 (4)0.0608 (16)
H211.0973680.5141720.6461150.073*
C220.9439 (6)0.5750 (3)0.5745 (3)0.0500 (12)
H220.8722970.5673190.6066720.060*
C230.5915 (8)0.4229 (4)0.2523 (5)0.0768 (19)
H230.6536770.4027420.2206020.092*
C240.4352 (9)0.4134 (4)0.3554 (6)0.099 (2)
H24A0.4229220.4603050.3437370.148*
H24B0.4770060.4063830.4178200.148*
H24C0.3417170.3916030.3394890.148*
C250.5621 (12)0.3167 (4)0.3171 (8)0.133 (4)
H25A0.6179000.3003130.2761810.199*
H25B0.4711640.2927910.3082530.199*
H25C0.6165230.3101920.3774450.199*
N10.3136 (4)0.5956 (2)0.2005 (3)0.0508 (11)
N20.4285 (5)0.6030 (2)0.2736 (3)0.0590 (12)
H20.4964210.5734060.2861660.071*
N30.6792 (4)0.6258 (2)0.4052 (3)0.0487 (10)
N40.7777 (4)0.65039 (19)0.4759 (3)0.0446 (10)
N50.5336 (5)0.3853 (2)0.3017 (4)0.0611 (12)
O10.4055 (4)0.6630 (2)0.1052 (3)0.0688 (11)
O20.1604 (5)0.5332 (2)0.2673 (3)0.0661 (11)
O30.3303 (4)0.69731 (18)0.3140 (2)0.0584 (10)
O40.5723 (5)0.4854 (2)0.2424 (3)0.0674 (11)
Br10.19755 (7)0.69503 (3)−0.08170 (4)0.0665 (2)
Br2−0.14640 (9)0.65636 (5)−0.16509 (5)0.0999 (3)
Br3−0.32399 (7)0.55998 (4)−0.05413 (5)0.0788 (2)
Br4−0.16683 (8)0.50983 (3)0.14779 (4)0.0719 (2)
S10.99228 (14)0.73488 (7)0.63679 (9)0.0529 (3)

Source of material

A mixture of 1-phenyl-5-(thiophen-2-yl)-1H-pyrazole-3-carbohydrazide (0.57 g, 2.0 mmol) and 4,5,6,7-tetrabromoisobenzofuran-1,3-dione (0.93 g, 2.0 mmol) in glacial acetic acid (10 mL) was refluxed for 6 h. The solid obtained on cooling was collected by filtration, washed with cold water, dried, and recrystallized from dimethylformamide to give colourless crystals (82%) of the title compound.

Experimental details

Hydrogen atoms were identified in difference Fourier syntheses. The methyl hydrogens and those bonded to sp2 C and N atoms were idealized during refinement using options AFIX 137, and AFIX 43 respectively in the SHELXL-2018 program [4]. The Uiso values of the hydrogen atoms were set to 1.5Ueq(C) for methyl groups and 1.2Ueq(C,N) for the rest.

Comment

Carbohydrazides containing the pyrazole ring system have significant biological activities [5], [6]. Heterocycles containing both pyrazoles and thiophene ring systems are versatile intermediates in organic synthesis and have many medicinal applications [7], [8], [9]. Recently, the X-ray crystal structures of related heterocycles containing the pyrazole ring system have been reported by us [10], [11], [12].

The asymmetric unit of the crystal structure consists of one molecule of the title compound and one molecule of dimethylformamide solvent. The target molecule comprises tetrabromodioxoisoindolinyl (A [C1—C8, O1, O2, Br1—Br4]), pyrazolyl (B [C10—C12, N3, N4]), thiophenyl (C [C13—C16, S1]) and phenyl (D [C17—C22]) ring systems. In the title molecule, fragments B, C and the carboxamide group are almost co-planar with twist angles: carboxamide/B = 3.9(8)° and B/C = 13.9(3)°. Ring systems A and D are almost perpendicular to the B–C-carboxamide plane with twist angles A/B = 90.56(12)° and B/D = 79.97(16)°.

In the crystal, an intermolecular N–H···O hydrogen bond occurs between the target and solvent molecules. The associated geometry is N2···O4 = 2.808(6) Å, N2–H2···O4 = 143.7°.

Close C–H···O interactions with geometry: (C14···O1 = 3.259(6) Å, C14–H14···O1 = 170.7°) and (C16···O3 = 3.266(6) Å, C16–H16···O3 = 146.4°) link molecules in the [100] direction. Two phenyl groups (D) of neighbouring molecules, related by inversion symmetry, are involved in a π-π contact with a centroid-centroid distance of 3.65 Å.

The tetrabromodioxoisoindolinyl group (A) of one molecule is also involved in π-π contacts on both sides. On one side is a crystallographically independent group of a molecule related by inversion symmetry (A–A interplanar distance = 3.67 Å) and on the other side is a thiophenyl group (A-[C2,C3,C5,C6,C7,C8 ring] centroid-to-centroid distance = 3.61 Å).

Corresponding author: Gamal A. El-Hiti, Cornea Research Chair, Department of Optometry, College of Applied Medical Sciences, King Saud University, P. O. Box 10219, Riyadh, 11433, Saudi Arabia, E-mail:

Funding source: Vice Deanship of Scientific Research Chairs

Acknowledgments

The authors are grateful to the Deanship of Scientific Research, King Saud University for funding through the Vice Deanship of Scientific Research Chairs.

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

  2. Research funding: Vice Deanship of Scientific Research Chairs.

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

References

1. Agilent Technologies. CrysAlisPRO Software System (version 1.171.35.15); Agilent Technologies UK Ltd: Oxford, UK, 2011.Suche in Google Scholar

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

3. Sheldrick, G. M. Crystal structure refinement with SHELXL. Acta Crystallogr. 2015, C71, 3–8; https://doi.org/10.1107/s2053229614024218.Suche in Google Scholar

4. Farrugia, L. J. WinGX and ORTEP for Windows: an update. J. Appl. Crystallogr. 2012, 45, 849–854; https://doi.org/10.1107/s0021889812029111.Suche in Google Scholar

5. Charret, K. S., Rodrigues, R. F., Bernardino, A. M. R., Gomes, A. O., Carvalho, A. V., Canto-Cavalheiro, M. M., Leon, L., Amaral, V. F. Effect of oral treatment with pyrazole carbohydrazide derivatives against murine infection by Leishmania amazonensis. Am. J. Trop. Med. Hyg. 2009, 80, 568–573; https://doi.org/10.4269/ajtmh.2009.80.568.Suche in Google Scholar

6. Dias, L. R. S., Salvador, R. R. S. Pyrazole carbohydrazide derivatives of pharmaceutical interest. Pharmaceuticals 2012, 5, 317–324; https://doi.org/10.3390/ph5030317.Suche in Google Scholar

7. Mathew, B., Suresh, J., Anbazhagan, S., Dev, S. Molecular docking studies of some novel antidepressant 5-substituted phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carboxamides against monoamine oxidase isoforms. Cent. Nerv. Syst. Agents Med. Chem. 2016, 16, 75–80; https://doi.org/10.2174/1871524915666150216123707.Suche in Google Scholar

8. Hung, M.-S., Chang, C.-P., Li, T.-C., Yeh, T.-K., Song, J.-S., Lin, Y., Wu, C.-H., Kuo, P.-C., Amancha, P.-K., Wong, Y.-C., Hsiao, W.-C., Chao, Y.-S., Shia, K.-S. Discovery of 1-(2,4-dichlorophenyl)-4-ethyl-5-(5-(2-(4-(trifluoromethyl)phenyl)ethynyl) thiophen-2-yl)-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide as a potential peripheral cannabinoid-1 receptor inverse agonist. ChemMedChem 2010, 5, 1439–1443; https://doi.org/10.1002/cmdc.201000246.Suche in Google Scholar

9. Goodell, J. R., Puig-Basagoiti, F., Forshey, B. M., Shi, P.-Y., Ferguson, D. M. Identification of compounds with anti–West Nile Virus activity. J. Med. Chem. 2006, 49, 2127–2137; https://doi.org/10.1021/jm051229y.Suche in Google Scholar

10. El-Hiti, G. A., Abdel-Wahab, B. F., Baashen, M., Hegazy, A. S., Kariuki, B. M. Crystal structure of (E)-5-((4-chlorophenyl)diazenyl)-2-(5-(4-fluorophenyl)-3-(thiophen-2- yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole, C23H17ClFN5S2. Z. Kristallogr. NCS 2017, 232, 157–158; https://doi.org/10.1515/ncrs-2016-0208.Suche in Google Scholar

11. El-Hiti, G. A., Abdel-Wahab, B. F., Hegazy, A. S., Kariuki, B. M. Crystal structure of (E)-2-(5-(4-fluorophenyl)-3-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-5-((4-fluorophenyl)diazenyl)-4-methylthiazole, C23H17F2N5OS. Z. Kristallogr. NCS 2017, 232, 413–415; https://doi.org/10.1515/ncrs-2016-0293.Suche in Google Scholar

12. Alotaibi, A. A., Abdel-Wahab, B. F., Hegazy, A. S., Kariuki, B. M., El-Hiti, G. A. The crystal structure of 2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)- 8H-indeno[1,2-d]thiazole, C25H17BrFN3S. Z. Kristallogr. NCS 2020, 235, 897–899; https://doi.org/10.1515/ncrs-2020-0088.Suche in Google Scholar

Received: 2020-11-20
Accepted: 2020-12-10
Published Online: 2020-12-18
Published in Print: 2021-03-26

© 2020 Mohammed A. Baashen 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

  1. Frontmatter
  2. New Crystal Structures
  3. The crystal structure of 4-hydroxybenzene-1,3-diaminium dichloride, C6H10Cl2N2O
  4. The crystal structure of 3-chloropropylammonium chloride, C3H9Cl2N
  5. The crystal structure of 1-chloro-2-(dimethylamino)ethane hydrochloride, C4H11Cl2N
  6. Crystal structure of N-(2-(trifluoromethyl)phenyl)hexanamide, C13H16F3NO
  7. Redetermination of the crystal structure of para-toluidine, C7H9N 
  8. The crystal structure of bis(1,3-dihydroxy-2-methylpropan-2-aminium) carbonate, C9H24N2O7
  9. The crystal structure of 4-chloro-1-methylpiperidin-1-ium chloride, C6H13Cl2N
  10. Crystal structure of (Z)-3-(6-bromo-1H-indol-3-yl)-1,3-diphenylprop-2-en-1-one, C23H16BrNO
  11. The crystal structure of ethyl 2-amino-4-(3,5-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, C20H21F2NO4
  12. Crystal structure of 6,6'‐((1E,1'E)‐(propane‐1,3‐diylbis(azaneylylidene))bis(methaneylylidene))bis(3‐bromophenol), C34H32Br4N4O4
  13. The crystal structure of (E)-2-(2-((2-picolinoylhydrazono)methyl)phenoxy)acetic acid dihydrate, C15H17N3O6
  14. Crystal structure of (E)-4-bromo-N′-(3-chloro-2-hydroxybenzylidene)benzohydrazide, C14H10BrClN2O2
  15. Crystal structure of N,N′-bis(4-bromosalicylidene) ethylene-1,2-diaminopropan, C34H32Br4N4O4
  16. Crystal structure of 4-bromo-N′-[(3-bromo-2-hydroxyphenyl)methylidene]benzohydrazide methanol solvate, C15H14Br2N2O3
  17. The crystal structure of 1,2-bis(1H-benzo[d]imidazol-2-yl)ethane-1,2-diol — N-(2-aminophenyl)-3-(1H-benzo[d]imidazol-2-yl)-2,3-dihydroxypropanamide (1/1), C32H30N8O5
  18. The crystal structure of para-trifluoromethyl-aniline hemihydrate, C14H14F6N2O
  19. Redetermination of the crystal structure of 2-amino-2-methyl-propane-1,3-diole, C4H11NO2
  20. The crystal structure of methacholine chloride, C8H18ClNO2
  21. Crystal structure of 5,7,7-trimethyl-4,6,7,8-tetrahydrocyclopenta[g]isochromen-1(3H)-one, C15H18O2
  22. Crystal structure of poly[diammine-bis(μ4-4-hydroxypyridine-3-sulfonato-κ5N:O, O′:O′′:O′′)(μ2-pyrazinyl-κ2N:N′)tetrasilver(I)], C7H8Ag2N3O4S
  23. Crystal structure of ethyl (E)-5-(((3′,6′-bis(ethylamino)-3-oxospiro[isoindoline-1,9′-xanthen]-2-yl)imino)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate — ethanol (1/1), C38H45N5O5
  24. Crystal structure of 4-bromo-N′-[(3-chloro-2-hydroxyphenyl)methylidene]benzohydrazide, C14H7Br2N2O2
  25. Redetermination of the crystal structure of 3,3,3-triphenylpropanoic acid, C21H18O2 – Deposition of hydrogen atomic coordinates
  26. Structure redetermination of dextromethorphan hydrobromide monohydrate, C18H28BrNO2 – localization of hydrogen atoms
  27. Crystal structure of tris(azido-κ1N)-(N-(2-aminoethyl)-N-methyl-1,3-propanediamine-κ3N,N′,N′′)cobalt(III), C7H19CoN12
  28. Crystal structure of tetraaqua-bis(1H-indazole-6-carboxylate-κN)cadmium (II), C16H18CdN4O8
  29. Crystal structure of dichloride-bis(1-propylimidazole-κ1N)zinc(II), C12H20Cl2N4Zn
  30. Crystal structure of (E)-resveratrol 3-O-β-D-xylopyranoside, C19H22O8
  31. Crystal structure of 3,3′-(1,2-phenylene-bis(methylene))bis(1-vinyl- 1H-imidazol-3-ium) bis(hexafluoro phosphate)(V), C18H20F12N4P2
  32. Crystal structure of diaqua[bis(benzimidazol-2-yl-methyl)amine-κ3N,N′,N″]-phthalato-κ1O-nickel(II)-methanol (1/2), C26H31N5NiO8
  33. Crystal structure of 6,7-difluoro-1-methyl-3-(trifluoromethyl)quinoxalin-2(1H)-one, C10H5F5N2O
  34. Crystal structure of dichlorido-bis(1-hexyl-1H-benzotriazole-k1N)zinc(II), C24H34N6Cl2Zn
  35. The crystal structre of 2-(4-bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C16H12BBrN2
  36. Crystal structure of diethyl 3,9-bis(4-fluorophenyl)-6,12-diphenyl-3,9-diazapentacyclo[6.4.0.02,7.04,11]dodecane-1,5-dicarboxylate, C40H36F2N2O4
  37. Crystal structure of (E)-7-methoxy-2-((5-methoxypyridin-3-yl)methylene)-3,4- dihydronaphthalen-1(2H)-one, C18H17NO3
  38. Crystal structure of (E)-2-chloro-6-(((1,3-dihydroxy-2-(oxidomethyl)propan-2-yl)imino)methyl)phenolate-κ3N,O,O’)manganese(IV), C22H24Cl2MnN2O8
  39. The crystal structure of α-(meta-methoxyphenoxy)-ortho-tolylic acid, C15H14O4
  40. The crystal structure of N-(2-chloroethyl)-N,N-diethylammonium chloride, C6H15Cl2N
  41. The crystal structure of tris(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium) trihydrodecavanadate(V), C27H54N6O28V10
  42. Crystal structure of 1,3-bis(octyl)benzimidazolium perchlorate C23H39ClN2O4
  43. Crystal structure of tetrakis[(Z)-(2-(1-(furan-2-yl)-2-methylpropylidene)-1-phenylhydrazin-1-ido-κ2N,N′)] zirconium(IV), C56H60N8O4Zr
  44. The crystal structure of 2-(naphthalen-2-yloxy)-4-phenyl-6-(prop-2-yn-1-yloxy)-1,3,5-triazine, C22H15N3O2
  45. The crystal structure of trimethylsulfonium tris(trifluoromethylsulfonyl)methanide, C7H9F9O6S4
  46. Crystal structure of 4-bromo-N′-[3,5-dichloro-2-hydroxyphenyl)methylidene]benzohydrazide methanol solvate, C15H13BrCl2N2O3
  47. The crystal structure of 4-(4-bromophenyl)-2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazole, C24H16Br2FN3S
  48. The crystal structure of N-(adamantan-1-yl)-piperidine-1-carbothioamide, C16H26N2S
  49. The crystal structure of 1-phenyl-N-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide-dimethylformamide (1/1) C22H10Br4N4O3S
  50. The crystal structure of benzeneseleninic acid anhydride, C12H10O3Se2
  51. The crystal structure of diphenyalmine hydrochloride antimony trichloride co-crystallizate, C12H12Cl4NSb – Localization of hydrogen atoms
  52. The crystal structure of para-nitrobenzylbromide, C7H6BrNO2 – A second polymorph and correction of 3D coordinates
  53. Crystal structure of catena-poly[(5H-pyrrolo[3,2-b:4,5-b′]dipyridine-κ2N,N′)-(μ4-hexaoxidodivanadato)dizinc(II)],C10H9N3O6V2Zn
  54. Crystal structure of N,N′-(2-hydroxypropane-1,3-diyl)bis(pyridine-2-aldimine)-κ5N,N′,N′′,N′′′,O]-tris(nitrato-κ2O,O′) cerium(III), C15H16CeN7O10
  55. Synthesis and crystal structure of oktakis(dimethylsulphoxide-κ1O)gadolinium(III) [tetrabromido-μ2-bromido-μ2-sulfido-di-μ3-sulfido-μ4-sulfido-tetracopper(I)-tungsten(VI)], C16H48O8S12Br5Cu4GdW
  56. Crystal structure of {tris((1H-benzo[d]imidazol-2- yl)methyl)amine-κ4N,N′,N′′,N′′′}-(succinato-κ2O,O′)nickel(II) – methanol (1/4), C32H41N7NiO8
  57. Crystal structure of catena-poly[trans-tetraaqua(μ2-1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol)-k2N:N′)cobalt(II)] dinitrate – 1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol) – water (1/3/2), C72H68CoN18O12
  58. Crystal structure of bis(μ2-2-oxido-2-phenylacetate-κ3O:O,O′)-bis(1-isopropoxy-2-oxo-2-phenylethan-1-olato-κ2O,O′)-bis(propan-2-olato-κ1O)dititanium(IV), C44H52O14Ti2
  59. The crystal structure of 5-carboxy-2-(hydroxymethyl)-1H-imidazol-3-ium-4-carboxylate, C6H8N2O6
  60. The crystal structure of 2,6-dibromo-4-fluoroaniline, C6H4Br2FN
  61. The crystal structure of 4-chloro-N-(2-phenoxyphenyl)benzamide, C19H14ClNO2
  62. The crystal structure of 2-methyl-β-naphthothiazole, C12H9NS
https://doi.org/10.1515/ncrs-2020-0607
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Artikel in diesem Heft

  1. Frontmatter
  2. New Crystal Structures
  3. The crystal structure of 4-hydroxybenzene-1,3-diaminium dichloride, C6H10Cl2N2O
  4. The crystal structure of 3-chloropropylammonium chloride, C3H9Cl2N
  5. The crystal structure of 1-chloro-2-(dimethylamino)ethane hydrochloride, C4H11Cl2N
  6. Crystal structure of N-(2-(trifluoromethyl)phenyl)hexanamide, C13H16F3NO
  7. Redetermination of the crystal structure of para-toluidine, C7H9N 
  8. The crystal structure of bis(1,3-dihydroxy-2-methylpropan-2-aminium) carbonate, C9H24N2O7
  9. The crystal structure of 4-chloro-1-methylpiperidin-1-ium chloride, C6H13Cl2N
  10. Crystal structure of (Z)-3-(6-bromo-1H-indol-3-yl)-1,3-diphenylprop-2-en-1-one, C23H16BrNO
  11. The crystal structure of ethyl 2-amino-4-(3,5-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, C20H21F2NO4
  12. Crystal structure of 6,6'‐((1E,1'E)‐(propane‐1,3‐diylbis(azaneylylidene))bis(methaneylylidene))bis(3‐bromophenol), C34H32Br4N4O4
  13. The crystal structure of (E)-2-(2-((2-picolinoylhydrazono)methyl)phenoxy)acetic acid dihydrate, C15H17N3O6
  14. Crystal structure of (E)-4-bromo-N′-(3-chloro-2-hydroxybenzylidene)benzohydrazide, C14H10BrClN2O2
  15. Crystal structure of N,N′-bis(4-bromosalicylidene) ethylene-1,2-diaminopropan, C34H32Br4N4O4
  16. Crystal structure of 4-bromo-N′-[(3-bromo-2-hydroxyphenyl)methylidene]benzohydrazide methanol solvate, C15H14Br2N2O3
  17. The crystal structure of 1,2-bis(1H-benzo[d]imidazol-2-yl)ethane-1,2-diol — N-(2-aminophenyl)-3-(1H-benzo[d]imidazol-2-yl)-2,3-dihydroxypropanamide (1/1), C32H30N8O5
  18. The crystal structure of para-trifluoromethyl-aniline hemihydrate, C14H14F6N2O
  19. Redetermination of the crystal structure of 2-amino-2-methyl-propane-1,3-diole, C4H11NO2
  20. The crystal structure of methacholine chloride, C8H18ClNO2
  21. Crystal structure of 5,7,7-trimethyl-4,6,7,8-tetrahydrocyclopenta[g]isochromen-1(3H)-one, C15H18O2
  22. Crystal structure of poly[diammine-bis(μ4-4-hydroxypyridine-3-sulfonato-κ5N:O, O′:O′′:O′′)(μ2-pyrazinyl-κ2N:N′)tetrasilver(I)], C7H8Ag2N3O4S
  23. Crystal structure of ethyl (E)-5-(((3′,6′-bis(ethylamino)-3-oxospiro[isoindoline-1,9′-xanthen]-2-yl)imino)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate — ethanol (1/1), C38H45N5O5
  24. Crystal structure of 4-bromo-N′-[(3-chloro-2-hydroxyphenyl)methylidene]benzohydrazide, C14H7Br2N2O2
  25. Redetermination of the crystal structure of 3,3,3-triphenylpropanoic acid, C21H18O2 – Deposition of hydrogen atomic coordinates
  26. Structure redetermination of dextromethorphan hydrobromide monohydrate, C18H28BrNO2 – localization of hydrogen atoms
  27. Crystal structure of tris(azido-κ1N)-(N-(2-aminoethyl)-N-methyl-1,3-propanediamine-κ3N,N′,N′′)cobalt(III), C7H19CoN12
  28. Crystal structure of tetraaqua-bis(1H-indazole-6-carboxylate-κN)cadmium (II), C16H18CdN4O8
  29. Crystal structure of dichloride-bis(1-propylimidazole-κ1N)zinc(II), C12H20Cl2N4Zn
  30. Crystal structure of (E)-resveratrol 3-O-β-D-xylopyranoside, C19H22O8
  31. Crystal structure of 3,3′-(1,2-phenylene-bis(methylene))bis(1-vinyl- 1H-imidazol-3-ium) bis(hexafluoro phosphate)(V), C18H20F12N4P2
  32. Crystal structure of diaqua[bis(benzimidazol-2-yl-methyl)amine-κ3N,N′,N″]-phthalato-κ1O-nickel(II)-methanol (1/2), C26H31N5NiO8
  33. Crystal structure of 6,7-difluoro-1-methyl-3-(trifluoromethyl)quinoxalin-2(1H)-one, C10H5F5N2O
  34. Crystal structure of dichlorido-bis(1-hexyl-1H-benzotriazole-k1N)zinc(II), C24H34N6Cl2Zn
  35. The crystal structre of 2-(4-bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C16H12BBrN2
  36. Crystal structure of diethyl 3,9-bis(4-fluorophenyl)-6,12-diphenyl-3,9-diazapentacyclo[6.4.0.02,7.04,11]dodecane-1,5-dicarboxylate, C40H36F2N2O4
  37. Crystal structure of (E)-7-methoxy-2-((5-methoxypyridin-3-yl)methylene)-3,4- dihydronaphthalen-1(2H)-one, C18H17NO3
  38. Crystal structure of (E)-2-chloro-6-(((1,3-dihydroxy-2-(oxidomethyl)propan-2-yl)imino)methyl)phenolate-κ3N,O,O’)manganese(IV), C22H24Cl2MnN2O8
  39. The crystal structure of α-(meta-methoxyphenoxy)-ortho-tolylic acid, C15H14O4
  40. The crystal structure of N-(2-chloroethyl)-N,N-diethylammonium chloride, C6H15Cl2N
  41. The crystal structure of tris(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium) trihydrodecavanadate(V), C27H54N6O28V10
  42. Crystal structure of 1,3-bis(octyl)benzimidazolium perchlorate C23H39ClN2O4
  43. Crystal structure of tetrakis[(Z)-(2-(1-(furan-2-yl)-2-methylpropylidene)-1-phenylhydrazin-1-ido-κ2N,N′)] zirconium(IV), C56H60N8O4Zr
  44. The crystal structure of 2-(naphthalen-2-yloxy)-4-phenyl-6-(prop-2-yn-1-yloxy)-1,3,5-triazine, C22H15N3O2
  45. The crystal structure of trimethylsulfonium tris(trifluoromethylsulfonyl)methanide, C7H9F9O6S4
  46. Crystal structure of 4-bromo-N′-[3,5-dichloro-2-hydroxyphenyl)methylidene]benzohydrazide methanol solvate, C15H13BrCl2N2O3
  47. The crystal structure of 4-(4-bromophenyl)-2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazole, C24H16Br2FN3S
  48. The crystal structure of N-(adamantan-1-yl)-piperidine-1-carbothioamide, C16H26N2S
  49. The crystal structure of 1-phenyl-N-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide-dimethylformamide (1/1) C22H10Br4N4O3S
  50. The crystal structure of benzeneseleninic acid anhydride, C12H10O3Se2
  51. The crystal structure of diphenyalmine hydrochloride antimony trichloride co-crystallizate, C12H12Cl4NSb – Localization of hydrogen atoms
  52. The crystal structure of para-nitrobenzylbromide, C7H6BrNO2 – A second polymorph and correction of 3D coordinates
  53. Crystal structure of catena-poly[(5H-pyrrolo[3,2-b:4,5-b′]dipyridine-κ2N,N′)-(μ4-hexaoxidodivanadato)dizinc(II)],C10H9N3O6V2Zn
  54. Crystal structure of N,N′-(2-hydroxypropane-1,3-diyl)bis(pyridine-2-aldimine)-κ5N,N′,N′′,N′′′,O]-tris(nitrato-κ2O,O′) cerium(III), C15H16CeN7O10
  55. Synthesis and crystal structure of oktakis(dimethylsulphoxide-κ1O)gadolinium(III) [tetrabromido-μ2-bromido-μ2-sulfido-di-μ3-sulfido-μ4-sulfido-tetracopper(I)-tungsten(VI)], C16H48O8S12Br5Cu4GdW
  56. Crystal structure of {tris((1H-benzo[d]imidazol-2- yl)methyl)amine-κ4N,N′,N′′,N′′′}-(succinato-κ2O,O′)nickel(II) – methanol (1/4), C32H41N7NiO8
  57. Crystal structure of catena-poly[trans-tetraaqua(μ2-1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol)-k2N:N′)cobalt(II)] dinitrate – 1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol) – water (1/3/2), C72H68CoN18O12
  58. Crystal structure of bis(μ2-2-oxido-2-phenylacetate-κ3O:O,O′)-bis(1-isopropoxy-2-oxo-2-phenylethan-1-olato-κ2O,O′)-bis(propan-2-olato-κ1O)dititanium(IV), C44H52O14Ti2
  59. The crystal structure of 5-carboxy-2-(hydroxymethyl)-1H-imidazol-3-ium-4-carboxylate, C6H8N2O6
  60. The crystal structure of 2,6-dibromo-4-fluoroaniline, C6H4Br2FN
  61. The crystal structure of 4-chloro-N-(2-phenoxyphenyl)benzamide, C19H14ClNO2
  62. The crystal structure of 2-methyl-β-naphthothiazole, C12H9NS
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Heruntergeladen am 6.11.2025 von https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2020-0607/html
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