Home Crystal structure of 9-(t-butyl)-3,11-dihydro-6H-pyrazolo [1,5-a]pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidin-6-one hemihydrate, C30H32N10O3
Article Open Access

Crystal structure of 9-(t-butyl)-3,11-dihydro-6H-pyrazolo [1,5-a]pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidin-6-one hemihydrate, C30H32N10O3

  • Zhi-Qiang Song ORCID logo , Ying-Jie Hou ORCID logo , Hai-Yang Sun and Qi-Di Zhong ORCID logo EMAIL logo
Published/Copyright: July 6, 2022
Download Article (PDF)
Become an author with De Gruyter Brill
Submit Manuscript Author Information
Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 237 Issue 5

Abstract

C30H32N10O3, monoclinic, P21/c (no. 14), a = 10.447(2) Å, b = 20.130(4) Å, c = 14.772(3) Å, β = 113.001(3)°, V = 2859.7(10) Å3, Z = 4, R gt (F) = 0.0556, wR ref (F 2) = 0.1663, T = 296 K.

CCDC no.: 2171359

The title 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: Colourless block
Size: 0.18 × 0.15 × 0.13 mm
Wavelength: MoKα radiation (0.71073 Å)
μ: 0.09 mm−1
Diffractometer, scan mode: Bruker APEX-II, φ and ω
θ max, completeness: 26.5°, >99%
N(hkl)measured, N(hkl)unique, R int: 16503, 5904, 0.050
Criterion for I obs, N(hkl)gt: I obs > 2 σ(I obs), 3552
N(param)refined: 441
Programs: Bruker [1], SHELX [2, 3], Olex2 [4]
Table 2:

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

Atom x y z U iso*/U eq
C1 0.9093 (2) 0.93311 (11) 0.76724 (16) 0.0447 (6)
H1A 0.995356 0.946982 0.812694 0.054*
C2 0.8244 (2) 0.88836 (10) 0.78561 (16) 0.0405 (5)
H2 0.841525 0.866556 0.844711 0.049*
C3 0.7055 (2) 0.88157 (10) 0.69735 (15) 0.0357 (5)
C4 0.7251 (2) 0.92348 (10) 0.62811 (15) 0.0406 (5)
C5 0.5273 (3) 0.89385 (12) 0.50471 (17) 0.0565 (7)
H5 0.465090 0.897077 0.439506 0.068*
C6 0.4929 (2) 0.84959 (10) 0.56547 (15) 0.0405 (6)
C7 0.5830 (2) 0.84369 (10) 0.66482 (14) 0.0338 (5)
C8 0.3703 (3) 0.80853 (11) 0.52296 (16) 0.0468 (6)
C9 0.4391 (2) 0.76006 (10) 0.68822 (14) 0.0348 (5)
C10 0.3928 (2) 0.70872 (10) 0.72622 (16) 0.0422 (6)
H10 0.428050 0.694095 0.791093 0.051*
C11 0.2796 (2) 0.68216 (10) 0.64636 (15) 0.0390 (5)
C12 0.2007 (2) 0.61909 (11) 0.64614 (16) 0.0448 (6)
C13 0.1291 (3) 0.62573 (12) 0.71787 (18) 0.0533 (7)
H13A 0.074538 0.586705 0.714379 0.080*
H13B 0.069629 0.664042 0.700969 0.080*
H13C 0.197930 0.630640 0.783479 0.080*
C14 0.0935 (3) 0.60425 (16) 0.5439 (2) 0.0836 (11)
H14A 0.045125 0.563985 0.545449 0.125*
H14B 0.139195 0.599134 0.499210 0.125*
H14C 0.028223 0.640261 0.522415 0.125*
C15 0.3070 (3) 0.56253 (12) 0.6819 (2) 0.0743 (9)
H15A 0.374862 0.572998 0.746091 0.111*
H15B 0.352344 0.557101 0.637020 0.111*
H15C 0.260189 0.522052 0.684914 0.111*
C16 1.3056 (3) 0.96265 (13) 0.68488 (18) 0.0594 (7)
H16 1.381316 0.981722 0.735126 0.071*
C17 1.2237 (3) 0.91382 (13) 0.69746 (19) 0.0529 (7)
H17 1.231 (2) 0.8944 (11) 0.7545 (18) 0.053 (7)*
C18 1.1228 (2) 0.89875 (10) 0.60212 (15) 0.0375 (5)
C19 1.1494 (2) 0.94113 (10) 0.53594 (16) 0.0400 (5)
C20 0.9793 (3) 0.90075 (12) 0.40211 (17) 0.0459 (6)
H20 0.930 (2) 0.9003 (11) 0.3294 (18) 0.062 (7)*
C21 0.9410 (2) 0.85458 (10) 0.45924 (15) 0.0385 (5)
C22 1.0123 (2) 0.85388 (10) 0.56187 (15) 0.0346 (5)
C23 0.8327 (2) 0.80734 (11) 0.40892 (15) 0.0431 (6)
C24 0.8681 (2) 0.76590 (10) 0.57415 (14) 0.0324 (5)
C25 0.8088 (2) 0.71718 (10) 0.60892 (16) 0.0375 (5)
H25 0.830 (2) 0.7079 (10) 0.6788 (16) 0.046 (6)*
C26 0.7142 (2) 0.68506 (10) 0.52384 (15) 0.0353 (5)
C27 0.6283 (2) 0.62407 (11) 0.51898 (15) 0.0425 (6)
C28Aa 0.6427 (11) 0.6027 (5) 0.6188 (5) 0.106 (4)
H28Aa 0.736789 0.589035 0.655868 0.159*
H28Ba 0.580903 0.566256 0.613326 0.159*
H28Ca 0.619710 0.639123 0.651696 0.159*
C28Bb 0.5671 (12) 0.6251 (7) 0.5902 (9) 0.103 (4)
H28Db 0.637203 0.635369 0.653724 0.154*
H28Eb 0.527536 0.582439 0.592389 0.154*
H28Fb 0.495559 0.658365 0.572422 0.154*
C29Aa 0.4703 (6) 0.6440 (4) 0.4625 (7) 0.099 (3)
H29Aa 0.413349 0.604934 0.449854 0.148*
H29Ba 0.458266 0.664983 0.401348 0.148*
H29Ca 0.443401 0.674335 0.502149 0.148*
C29Bb 0.5347 (11) 0.6070 (5) 0.4179 (6) 0.104 (4)
H29Db 0.496844 0.563419 0.417048 0.156*
H29Eb 0.460594 0.638889 0.395778 0.156*
H29Fb 0.584224 0.607859 0.375188 0.156*
C30Aa 0.6579 (9) 0.5726 (3) 0.4614 (7) 0.090 (2)
H30Aa 0.631377 0.587693 0.394892 0.135*
H30Ba 0.606333 0.533314 0.462167 0.135*
H30Ca 0.755562 0.562831 0.489030 0.135*
C30Bb 0.7386 (8) 0.5631 (3) 0.5540 (9) 0.096 (3)
H30Db 0.792391 0.562046 0.514128 0.144*
H30Eb 0.689240 0.521905 0.546947 0.144*
H30Fb 0.799484 0.569198 0.621662 0.144*
N1 0.8491 (2) 0.95452 (9) 0.67206 (13) 0.0452 (5)
H1 0.884081 0.982923 0.644678 0.054*
N2 0.6398 (2) 0.93116 (10) 0.53200 (14) 0.0545 (6)
N3 0.55128 (18) 0.80141 (8) 0.72508 (12) 0.0371 (4)
H3 0.602441 0.800761 0.786961 0.044*
N4 0.35224 (19) 0.76509 (8) 0.59052 (12) 0.0403 (5)
N5 0.2520 (2) 0.71599 (9) 0.56403 (13) 0.0450 (5)
N6 1.2604 (2) 0.97955 (10) 0.58755 (14) 0.0526 (6)
H6 1.296418 1.009522 0.563289 0.063*
N7 1.0797 (2) 0.94471 (9) 0.43773 (13) 0.0464 (5)
N8 0.97254 (19) 0.81096 (8) 0.61764 (13) 0.0377 (5)
H8 1.017 (2) 0.8088 (10) 0.6828 (16) 0.046 (7)*
N9 0.80704 (19) 0.76369 (8) 0.47332 (12) 0.0372 (5)
N10 0.71097 (19) 0.71314 (8) 0.44169 (12) 0.0395 (5)
O1 0.2909 (2) 0.80857 (9) 0.43710 (12) 0.0740 (6)
O2 0.7678 (2) 0.80251 (9) 0.32083 (11) 0.0683 (6)
O3 0.1075 (2) 0.70990 (10) 0.32388 (12) 0.0819 (7)
H3A 0.134034 0.687827 0.380827 0.123*
H3B 0.165584 0.744077 0.334967 0.123*

  1. aOccupancy: 0.552 (6), bOccupancy: 0.448 (6).

Source of material

An oven-dried round bottom flask was charged with a stirring bar, 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (100 mg, 0.5 mmol), 5-(tert-butyl)-1H-pyrazol-3-amine (70 mg, 0.5 mmol), cesium carbonate (500 mg, 1.5 mmol), and DMF (5 mL), and then the reaction mixture was stirred at 120 °C under nitrogen atmosphere for 8 h [5]. The product was obtained by column chromatography eluting with dichloromethane and methanol 15:1. The resulting solution was evaporated to get some colorless crystals.

Experimental details

All hydrogen atoms were placed in the calculated positions and all the non-hydrogen atoms were refined anisotropically.

Comment

Derivatives similar to the title compound have been reported to have antitumor activity, anti pulmonary fibrosis activity and janus kinase protein inhibitory activity [6], [7], [8], [9], [10]. Exactly the same skeleton as the title compound has not been reported in the literature, which may arouse the interest of researchers.

The asymmetric unit of the title structure contains two molecules 9-(tert-butyl)-3,11-dihydro-6H-pyrazolo [1,5-a]pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidin-6-one molecules and a water molecule. There is a disorder of the t-butyl group and the ratio is 0.552:0.448. All other values of the geometric parameters are normal. The bond lengths and angles are in the expected ranges.

Corresponding author: Qi-Di Zhong, School of Pharmacy, North China University of Science and Technology, 063200, Caofeidian District, Tangshan, P. R. China, E-mail:

Funding source: Science and Technology Innovation Ability Cultivation Special Project for College and High School Students the Foundation Programs http://dx.doi.org/10.13039/501100003482

Award Identifier / Grant number: 2021H020904

Funding source: Hebei Biomedical Joint Fund http://dx.doi.org/10.13039/501100015285

Award Identifier / Grant number: C2020209081

Funding source: Basic Scientific Research Business Expenses of Hebei Provincial Colleges and Universities http://dx.doi.org/10.13039/501100017680

Award Identifier / Grant number: JQN2020016

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

  2. Research funding: This work was supported by Science and Technology Innovation Ability Cultivation Special Project for College and High School Students the Foundation Programs (2021H020904), Hebei Biomedical Joint Fund (C2020209081) and Basic Scientific Research Business Expenses of Hebei Provincial Colleges and Universities (JQN2020016).

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

References

1. BRUKER. SAINT. Version 8.23B; Bruker AXS Inc.: Madison, Wisconsin, USA, 2013.Search in Google Scholar

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

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

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.Search in Google Scholar

5. Annareddygari, S., Kasireddy, V. R., Reddy, J. Transition-metal-free N-arylation: a general approach to aza-fused poly-heteroaromatics. J. Heterocycl. Chem. 2019, 56, 1–10; https://doi.org/10.1002/jhet.3722.Search in Google Scholar

6. Egert-Schmidt, A. M., Dreher, J., Dunkel, U., Kohfeld, S., Kunick, C. Identification of 2-anilino-9-methoxy-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepin-6-ones as dual plk1/vegf-r2 kinase inhibitor chemotypes by structure-based lead generation. J. Med. Chem. 2010, 53, 2433–2442; https://doi.org/10.1021/jm901388c.Search in Google Scholar PubMed

7. Qiu, Y. Z., Yu, Y. Crystal structure of 9-methoxy- 2,3,4,4a,5,6-hexahydro-1H-pyrido [1′,2′:1,6] pyrazino[2,3-b]quinoxaline C15H18N4O. Z. Kristallogr. N. Cryst. Struct. 2022, 237, 361–363.10.1515/ncrs-2022-0012Search in Google Scholar

8. Zhang, M., Lan, H., Li, N., Zhong, Q., Zhu, H., Liu, C., Zhao, H. Photocatalyst-free singlet oxygen-induced oxygenation: a strategy for the preparation of 5-cyano-2-pyridones driven by blue-light irradiation. J. Org. Chem. 2020, 85, 8279–8286; https://doi.org/10.1021/acs.joc.0c00963.Search in Google Scholar PubMed

9. Leonard, K. A., Madge, L. A., Krawczuk, P. J., Wang, A., Koudriakova, T. Discovery of a gut-restricted jak inhibitor for the treatment of inflammatory bowel disease. J. Org. Chem. 2020, 63, 2915–2929; https://doi.org/10.1021/acs.jmedchem.9b01439.Search in Google Scholar PubMed

10. Forster, M., Chaikuad, A., Dimitrov, T., Döring, E., Holstein, J., Berger, B. T., Gehringer, M., Ghoreschi, K., Müller, S., Knapp, S., Laufer, S. A. Development, optimization, and structure-activity relationships of covalent-reversible JAK3 inhibitors based on a tricyclic imidazo[5,4-d]pyrrolo[2,3-b]pyridine scaffold. J. Med. Chem. 2018, 61, 5350–5366; https://doi.org/10.1021/acs.jmedchem.8b00571.Search in Google Scholar PubMed

Received: 2022-05-23
Accepted: 2022-06-20
Published Online: 2022-07-06
Published in Print: 2022-10-26

© 2022 the author(s), published by De Gruyter, Berlin/Boston

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

Articles in the same Issue

  1. Frontmatter
  2. New Crystal Structures
  3. The crystal structure of 3-(1-(2-((5-methylthiophen-2-yl)methylene)hydrazinyl)ethylidene)chroman-2,4-dione, C17H14N2O3S
  4. Crystal structure of chlorido-(η 6-toluene)(5,5′-dimethyl-2,2′-bipyridine-κ2 N,N′)ruthenium(II) hexafluoridophosphate(V) ─ acetone (1/1) C22H26ClN2ORuPF6
  5. Crystal structure of 4-(((2-(3-(1-(3-(3-cyanophenyl)-6-oxopyridazin-1(6H)-yl)ethyl)phenyl) pyrimidin-5-yl)oxy)methyl)-1-methylpiperidin-1-ium chloride monohydrate, C30H33N6O2Cl
  6. The crystal structure of 2-chloro-N-((2-chlorophenyl)carbamoyl)nicotinamide, C13H9Cl2N3O2
  7. Crystal structure of 9-(t-butyl)-3,11-dihydro-6H-pyrazolo [1,5-a]pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidin-6-one hemihydrate, C30H32N10O3
  8. Crystal structure of di-μ2-hydroxido-tetrakis(6-methylpyridine-2-carboxylato-k2 N,O) diiron(III) trihydrate C28H32Fe2N4O13
  9. Crystal structure of catena-poly[qua-(μ2-2-aminoisophthalat-κ3 O,O′:O′′)(1,10-phenanthroline-κ2 N,N′)manganese(II)] C20H15MnN3O5
  10. Crystal structure of poly[(bis(isothiocyano)-bis(μ 2-(E)-N′-(pyridin-4-ylmethylene)isonicotinohydrazide))iron(II) – methanol – 1,4-dioxane (1/2/2), C36H44FeN10O8S2
  11. Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl)propylidene)-4-hydroxybenzohydrazide, C16H15ClN2O3
  12. Crystal structure of bis(μ2-benzoato-k2O:O′)-bis(μ2-benzoato-k3O,O′:O′)dinitrato-k2O,O′-bis(phenanthroline-k2 N,N′)dierbium(III), C52H36Er2N6O14
  13. Crystal structure of 4-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C14H12N4O3S
  14. Synthesis and crystal structure of 1-((3R,10S,13R,17S)-10,13-dimethyl-3- (phenylamino)hexadecahydro-1H-cyclopenta[α] phenanthren-17-yl)ethan-1-one, C27H39NO
  15. Crystal structre of 1,4-bis(bromomethyl)-2,3,5,6-tetramethylbenzene, C12H16Br2
  16. Crystal structure of 2-(adamantan-1-yl)-5-(3,5-dinitrophenyl)-1,3,4-oxadiazole, C18H18N4O5
  17. Crystal structure of (E)-N′-benzylidene-4-nitrobenzohydrazide – methanol (1/1), C15H15N3O4
  18. The crystal structure of 3-(2-bromophenyl)-1,5-di-p-tolylpentane-1,5-dione, C25H23BrO2
  19. Crystal structure of catena-poly[(μ 2-4,4′-bipyridine-κ2 N:N′)-bis(4-bromobenzoato-κ1 O)zinc(II)], C24H16Br2N2O4Zn
  20. Crystal structure of 1,1′-(1,2-ethanediyl)bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S:S)zinc(II), C20H14N6ZnS4
  21. Crystal structure of pentacarbonyl-(μ2-propane-1,3-dithiolato-κ4 S:S,S′:S′)-(diphenyl(o-tolyl)phosphine-κ1 P)diiron (Fe-Fe), C27H23Fe2O5PS2
  22. The crystal structure of the cocrystal 4-hydroxy-3,5-dimethoxybenzoic acid–pyrazine-2-carboxamide(1/1), C14H15N3O6
  23. The crystal structure of dichlorido-bis((RS)-2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile-κ1 N)zinc(II), C30H34Cl4N8Zn
  24. Crystal structure of the cocrystal 2,4,6-triamino-1,3,5-triazine – 1H-isoindole-1,3(2H)-dione – methanol (1/1/1), C12H15N7O3
  25. The crystal structure of methyl 4-((3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl) benzoate, C23H28O3
  26. Crystal structure of (poly[µ2-(1H-pyrazol-1-yl)methyl]-1H-benzotriazole-κ 2 N:N)-(nitrato-κ 2 O:O′) silver(I), C9H8AgN7O3
  27. Crystal structure of tetraaqua-bis[4-(1H-1,2,4-triazol-1-yl)benzoato-k1 N]cadmium(II), C18H20CdN6O8
  28. The crystal structure of diaqua-bis(pyrazolo[1,5-a]pyrimidine-3-carboxylato-κ2N,O)nickel(II) dihydrate, C14H16N6O8Ni
  29. Crystal structure of poly[μ2-aqua-aqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2 N:N′)-(μ2-4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ2 O:O′)-(μ4-4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ5 O,O′:O″:O′″:O′″)dicobalt(II)] – water – dimethylformamide (1/1/1) C44H43N11O12Co2
  30. Crystal structure of N-((Z)-amino(((E)-amino(phenylamino)methylene) amino)methylene)benzenaminium chloride – benzo[f]isoquinolino[3,4-b][1,8]naphthyridine – tetrahydrofurane (1/2/2), C60H54ClN11O2
  31. The crystal structure of Chrysosplenol D, C18H16O8
  32. Crystal structure of poly[deca aqua-bis(μ 4-2-(triazol-1-yl)-benzene-1,3,5-tricarboxylato)- bis(μ 5-2-(triazol-1-yl)-benzene-1,3-dicarboxylato-5-carboxyl acid) pentamanganese(II)] dihydrate, C44H42Mn5N12O36
  33. Synthesis and crystal structure of (E)-1-(4-(((E)-3-(tert-butyl)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C20H24N2O2
  34. The crystal structure of 4,4′-dichloro-6,6′-dimethoxy-2,2′,3,3′,5,5′- hexanitroazobenzene, C14H6N8O14Cl2
  35. Crystal structure of N 2,N 4-dimesitylpentane-2,4-diamine, C23H34N2
  36. Crystal structure of (1,4,7,10,13,16-hexaoxacyclooctadecane-κ 6O6)potassium(2-methylphenylamino)ethyl-2-methylphenylamide ammoniate (1/3.5), [K(18-crown-6)](o-CH3C6H4)NH(CH2)2N(o-CH3C6H4) 3.5 NH3, C28H53.5KN5.5O6
  37. The crystal structure of N′,N″,2-tris((E)-5-chloro-2-hydroxybenzylidene)hydrazine-1-carbohydrazonhydrazide hydrochloride – methanol (1/3), C25H30Cl4N6O6
  38. Crystal structure of (E)-7-bromo-2-(3,5-dimethoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C19H17BrO3
  39. Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl) ethylidene)-4-hydroxybenzohydrazide, C15H13ClN2O3
  40. {2-(((2-aminoethyl)imino)methyl)-6-bromophenolato-κ3 N,N′,O}iron(III) nitrate, C18H20Br2FeN5O5
  41. Crystal structure of 2-(tert-pentyl)anthracene-9,10-dione, C19H18O2
  42. Crystal structure of 5,5′-(1,4-phenylene)bis(1H-imidazol-3-ium) bis(2-(2-(carboxymethyl)phenyl)acetate), C32H30N4O8
  43. Crystal structure of N 2,N 6-bis(2-(((E)-naphthalen-1-ylmethylene)amino)phenyl)pyridine-2,6-dicarboxamide, C41H29N5O2
  44. The crystal structure of 3-amino-1,2,4-triazolium 2,4,5-trinitroimidazolate, C5H5O6N9
  45. Hydrogen bonded dimers in the crystal structure of 2-chloro-N-(phenylcarbamoyl)nicotinamide, C26H20Cl2N6O4
  46. The crystal structure of 4,4′-bipyridine-5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one-water(1/2/2), C40H32N2O12
  47. Crystal structure of N,N'-bis(4-fluoro-salicylaldehyde)-3,6-dioxa-1,8-diaminooctane, C20H22F2N2O4
  48. Crystal structure of 3-(1,3-dinitropropan-2-yl)-4H-chromen-4-one, C12H10N2O6
  49. The crystal structure of (4-(2-bromoethoxy)-phenyl)(phenyl)methanone, C15H13BrO2
  50. Crystal structure of (E)-7-bromo-2-(4-methoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C18H15BrO2
  51. Crystal structure of dichlorido-tetrakis((E)-(RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol-κ 1 N)cadmium(II), C60H68O4N12Cl10Cd
  52. Crystal structure of diaqua-diphenanthroline-κ2 N,N′-bis(μ2-2-carboxy-3,4,5,6-tetrafluorobenzoato-κ2 O:O′)-bis(μ2-tetrafluorophthalato-κ3 O,O′:O′)didysprosium(III) – phenanthroline (1/2), C80H38Dy2F16N8O18
  53. Crystal structure of bis(μ2-2-oxido-2-phenylacetato-κ3 O,O′:O′)-bis(N-oxido-benzamide-κ2 O,O′)-bis(propan-2-olato-κ1 O)dititanium(IV), C36H38N2O12Ti2
  54. Crystal structure of poly[diaqua-(μ2-1H-benzo[d][1,2,3]triazole-5-carboxylato-κ2 O:O′)(μ2-oxalato-κ4O,O:O″,O′″)europium(III)] monohydrate, C9H10N3O9Eu
  55. Crystal structure of bis((N-methyl-2-oxyethyl)amine)-bis(μ 2-N,N,N-tris(2-oxoethyl)amine)-bis(isopropoxy)-bis(μ 3-oxo)tetratitanium(IV)– isopropanol (1/2), C34H76N4O16Ti4
  56. Synthesis and crystal structure of ethyl 4-((4-iodobenzyl)amino)benzoate, C16H16INO2
  57. Crystal structure of (Z)-2-(tert-butyl)-5-((5-(tert- butyl)-2H-pyrrol-2-ylidene)(mesityl)methyl)-1H-pyrrole, C26H34N2
  58. Crystal structure of dimethylammonium poly[μ4-1,1′-(1,4- phenylenebis(methylene))bis(1H-pyrazole-3,5-dicarboxylato-κ6 N,O:O′:N′,O″:O‴) manganese(II)], C22H26MnN6O8
https://doi.org/10.1515/ncrs-2022-0265
Creative Commons
BY 4.0

Articles in the same Issue

  1. Frontmatter
  2. New Crystal Structures
  3. The crystal structure of 3-(1-(2-((5-methylthiophen-2-yl)methylene)hydrazinyl)ethylidene)chroman-2,4-dione, C17H14N2O3S
  4. Crystal structure of chlorido-(η 6-toluene)(5,5′-dimethyl-2,2′-bipyridine-κ2 N,N′)ruthenium(II) hexafluoridophosphate(V) ─ acetone (1/1) C22H26ClN2ORuPF6
  5. Crystal structure of 4-(((2-(3-(1-(3-(3-cyanophenyl)-6-oxopyridazin-1(6H)-yl)ethyl)phenyl) pyrimidin-5-yl)oxy)methyl)-1-methylpiperidin-1-ium chloride monohydrate, C30H33N6O2Cl
  6. The crystal structure of 2-chloro-N-((2-chlorophenyl)carbamoyl)nicotinamide, C13H9Cl2N3O2
  7. Crystal structure of 9-(t-butyl)-3,11-dihydro-6H-pyrazolo [1,5-a]pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidin-6-one hemihydrate, C30H32N10O3
  8. Crystal structure of di-μ2-hydroxido-tetrakis(6-methylpyridine-2-carboxylato-k2 N,O) diiron(III) trihydrate C28H32Fe2N4O13
  9. Crystal structure of catena-poly[qua-(μ2-2-aminoisophthalat-κ3 O,O′:O′′)(1,10-phenanthroline-κ2 N,N′)manganese(II)] C20H15MnN3O5
  10. Crystal structure of poly[(bis(isothiocyano)-bis(μ 2-(E)-N′-(pyridin-4-ylmethylene)isonicotinohydrazide))iron(II) – methanol – 1,4-dioxane (1/2/2), C36H44FeN10O8S2
  11. Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl)propylidene)-4-hydroxybenzohydrazide, C16H15ClN2O3
  12. Crystal structure of bis(μ2-benzoato-k2O:O′)-bis(μ2-benzoato-k3O,O′:O′)dinitrato-k2O,O′-bis(phenanthroline-k2 N,N′)dierbium(III), C52H36Er2N6O14
  13. Crystal structure of 4-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C14H12N4O3S
  14. Synthesis and crystal structure of 1-((3R,10S,13R,17S)-10,13-dimethyl-3- (phenylamino)hexadecahydro-1H-cyclopenta[α] phenanthren-17-yl)ethan-1-one, C27H39NO
  15. Crystal structre of 1,4-bis(bromomethyl)-2,3,5,6-tetramethylbenzene, C12H16Br2
  16. Crystal structure of 2-(adamantan-1-yl)-5-(3,5-dinitrophenyl)-1,3,4-oxadiazole, C18H18N4O5
  17. Crystal structure of (E)-N′-benzylidene-4-nitrobenzohydrazide – methanol (1/1), C15H15N3O4
  18. The crystal structure of 3-(2-bromophenyl)-1,5-di-p-tolylpentane-1,5-dione, C25H23BrO2
  19. Crystal structure of catena-poly[(μ 2-4,4′-bipyridine-κ2 N:N′)-bis(4-bromobenzoato-κ1 O)zinc(II)], C24H16Br2N2O4Zn
  20. Crystal structure of 1,1′-(1,2-ethanediyl)bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S:S)zinc(II), C20H14N6ZnS4
  21. Crystal structure of pentacarbonyl-(μ2-propane-1,3-dithiolato-κ4 S:S,S′:S′)-(diphenyl(o-tolyl)phosphine-κ1 P)diiron (Fe-Fe), C27H23Fe2O5PS2
  22. The crystal structure of the cocrystal 4-hydroxy-3,5-dimethoxybenzoic acid–pyrazine-2-carboxamide(1/1), C14H15N3O6
  23. The crystal structure of dichlorido-bis((RS)-2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile-κ1 N)zinc(II), C30H34Cl4N8Zn
  24. Crystal structure of the cocrystal 2,4,6-triamino-1,3,5-triazine – 1H-isoindole-1,3(2H)-dione – methanol (1/1/1), C12H15N7O3
  25. The crystal structure of methyl 4-((3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl) benzoate, C23H28O3
  26. Crystal structure of (poly[µ2-(1H-pyrazol-1-yl)methyl]-1H-benzotriazole-κ 2 N:N)-(nitrato-κ 2 O:O′) silver(I), C9H8AgN7O3
  27. Crystal structure of tetraaqua-bis[4-(1H-1,2,4-triazol-1-yl)benzoato-k1 N]cadmium(II), C18H20CdN6O8
  28. The crystal structure of diaqua-bis(pyrazolo[1,5-a]pyrimidine-3-carboxylato-κ2N,O)nickel(II) dihydrate, C14H16N6O8Ni
  29. Crystal structure of poly[μ2-aqua-aqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2 N:N′)-(μ2-4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ2 O:O′)-(μ4-4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ5 O,O′:O″:O′″:O′″)dicobalt(II)] – water – dimethylformamide (1/1/1) C44H43N11O12Co2
  30. Crystal structure of N-((Z)-amino(((E)-amino(phenylamino)methylene) amino)methylene)benzenaminium chloride – benzo[f]isoquinolino[3,4-b][1,8]naphthyridine – tetrahydrofurane (1/2/2), C60H54ClN11O2
  31. The crystal structure of Chrysosplenol D, C18H16O8
  32. Crystal structure of poly[deca aqua-bis(μ 4-2-(triazol-1-yl)-benzene-1,3,5-tricarboxylato)- bis(μ 5-2-(triazol-1-yl)-benzene-1,3-dicarboxylato-5-carboxyl acid) pentamanganese(II)] dihydrate, C44H42Mn5N12O36
  33. Synthesis and crystal structure of (E)-1-(4-(((E)-3-(tert-butyl)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C20H24N2O2
  34. The crystal structure of 4,4′-dichloro-6,6′-dimethoxy-2,2′,3,3′,5,5′- hexanitroazobenzene, C14H6N8O14Cl2
  35. Crystal structure of N 2,N 4-dimesitylpentane-2,4-diamine, C23H34N2
  36. Crystal structure of (1,4,7,10,13,16-hexaoxacyclooctadecane-κ 6O6)potassium(2-methylphenylamino)ethyl-2-methylphenylamide ammoniate (1/3.5), [K(18-crown-6)](o-CH3C6H4)NH(CH2)2N(o-CH3C6H4) 3.5 NH3, C28H53.5KN5.5O6
  37. The crystal structure of N′,N″,2-tris((E)-5-chloro-2-hydroxybenzylidene)hydrazine-1-carbohydrazonhydrazide hydrochloride – methanol (1/3), C25H30Cl4N6O6
  38. Crystal structure of (E)-7-bromo-2-(3,5-dimethoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C19H17BrO3
  39. Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl) ethylidene)-4-hydroxybenzohydrazide, C15H13ClN2O3
  40. {2-(((2-aminoethyl)imino)methyl)-6-bromophenolato-κ3 N,N′,O}iron(III) nitrate, C18H20Br2FeN5O5
  41. Crystal structure of 2-(tert-pentyl)anthracene-9,10-dione, C19H18O2
  42. Crystal structure of 5,5′-(1,4-phenylene)bis(1H-imidazol-3-ium) bis(2-(2-(carboxymethyl)phenyl)acetate), C32H30N4O8
  43. Crystal structure of N 2,N 6-bis(2-(((E)-naphthalen-1-ylmethylene)amino)phenyl)pyridine-2,6-dicarboxamide, C41H29N5O2
  44. The crystal structure of 3-amino-1,2,4-triazolium 2,4,5-trinitroimidazolate, C5H5O6N9
  45. Hydrogen bonded dimers in the crystal structure of 2-chloro-N-(phenylcarbamoyl)nicotinamide, C26H20Cl2N6O4
  46. The crystal structure of 4,4′-bipyridine-5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one-water(1/2/2), C40H32N2O12
  47. Crystal structure of N,N'-bis(4-fluoro-salicylaldehyde)-3,6-dioxa-1,8-diaminooctane, C20H22F2N2O4
  48. Crystal structure of 3-(1,3-dinitropropan-2-yl)-4H-chromen-4-one, C12H10N2O6
  49. The crystal structure of (4-(2-bromoethoxy)-phenyl)(phenyl)methanone, C15H13BrO2
  50. Crystal structure of (E)-7-bromo-2-(4-methoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C18H15BrO2
  51. Crystal structure of dichlorido-tetrakis((E)-(RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol-κ 1 N)cadmium(II), C60H68O4N12Cl10Cd
  52. Crystal structure of diaqua-diphenanthroline-κ2 N,N′-bis(μ2-2-carboxy-3,4,5,6-tetrafluorobenzoato-κ2 O:O′)-bis(μ2-tetrafluorophthalato-κ3 O,O′:O′)didysprosium(III) – phenanthroline (1/2), C80H38Dy2F16N8O18
  53. Crystal structure of bis(μ2-2-oxido-2-phenylacetato-κ3 O,O′:O′)-bis(N-oxido-benzamide-κ2 O,O′)-bis(propan-2-olato-κ1 O)dititanium(IV), C36H38N2O12Ti2
  54. Crystal structure of poly[diaqua-(μ2-1H-benzo[d][1,2,3]triazole-5-carboxylato-κ2 O:O′)(μ2-oxalato-κ4O,O:O″,O′″)europium(III)] monohydrate, C9H10N3O9Eu
  55. Crystal structure of bis((N-methyl-2-oxyethyl)amine)-bis(μ 2-N,N,N-tris(2-oxoethyl)amine)-bis(isopropoxy)-bis(μ 3-oxo)tetratitanium(IV)– isopropanol (1/2), C34H76N4O16Ti4
  56. Synthesis and crystal structure of ethyl 4-((4-iodobenzyl)amino)benzoate, C16H16INO2
  57. Crystal structure of (Z)-2-(tert-butyl)-5-((5-(tert- butyl)-2H-pyrrol-2-ylidene)(mesityl)methyl)-1H-pyrrole, C26H34N2
  58. Crystal structure of dimethylammonium poly[μ4-1,1′-(1,4- phenylenebis(methylene))bis(1H-pyrazole-3,5-dicarboxylato-κ6 N,O:O′:N′,O″:O‴) manganese(II)], C22H26MnN6O8
Sign up now to receive a 20% welcome discount
Institutional Access
How does access work?
Have an idea on how to improve our website?
Please write us.
© 2025 De Gruyter Brill
Downloaded on 9.9.2025 from https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2022-0265/html
Scroll to top button