Startseite Naturwissenschaften The crystal structure of unsymmetrical BOPHY C26H27BN4
Artikel Open Access

The crystal structure of unsymmetrical BOPHY C26H27BN4

  • Ghaferah H. Al-Hazmi , Moamen S. Refat , Rabia Usman ORCID logo EMAIL logo und Arshad Khan ORCID logo EMAIL logo
Veröffentlicht/Copyright: 5. April 2024
Artikel downloaden (PDF)
Veröffentlichen auch Sie bei De Gruyter Brill
Manuskript einreichen Informationen für Autor*innen
Zeitschrift für Kristallographie - New Crystal Structures
Aus der Zeitschrift Zeitschrift für Kristallographie - New Crystal Structures Band 239 Heft 3

Abstract

C26H27BN4, monoclinic, C2/c (no. 15), a = 38.716(3) Å, b = 9.2723(6) Å, c = 27.3977(18) Å, β = 113.4790(10)°, V = 9021.1(11) Å3, Z = 16, Rgt (F) = 0.0520, wRref (F 2) = 0.1440, T = 100 K.

CCDC no.: 2342739

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

Table 1:

Data collection and handling.

Crystal: Yellow plate
Size: 0.05 × 0.01 × 0.01 mm
Wavelength: Synchrotron radiation (0.6889 Å)
μ: 0.07 mm−1
Diffractometer, scan mode: Fluid film devices, φ and ω with 0.1° frames
θ max, completeness: 29.5°, >99 %
N(hkl)measured, N(hkl)unique, R int: 64,902, 13,737, 0.066
Criterion for I obs, N(hkl)gt: I obs > 2σ(I obs), 10,590
N(param)refined: 573
Programs: CrysAlis pro [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
N1 0.24611 (3) 0.65896 (11) 0.34685 (4) 0.0152 (2)
N2 0.29702 (3) 0.49726 (11) 0.36972 (4) 0.01283 (18)
N3 0.40315 (3) 0.28595 (11) 0.45073 (4) 0.01446 (19)
H3 0.3986 (4) 0.2773 (18) 0.4173 (7) 0.017*
N4 0.33091 (3) 0.42149 (11) 0.39098 (4) 0.01341 (19)
N5 0.44494 (3) −0.15216 (11) 0.34661 (4) 0.01451 (19)
N6 0.41447 (3) 0.06758 (11) 0.34683 (4) 0.01264 (18)
N7 0.36810 (3) 0.50307 (11) 0.31231 (4) 0.01367 (19)
H7A 0.3627 (4) 0.4751 (18) 0.3378 (6) 0.016*
N8 0.39911 (3) 0.20513 (11) 0.34230 (4) 0.01326 (18)
C1 0.21925 (3) 0.65083 (14) 0.25624 (5) 0.0183 (2)
C2 0.19963 (3) 0.74828 (14) 0.27487 (5) 0.0205 (3)
H2 0.1788 0.8024 0.2537 0.025*
C3 0.21657 (3) 0.75088 (14) 0.33079 (5) 0.0187 (2)
C4 0.27923 (3) 0.50295 (13) 0.31761 (5) 0.0149 (2)
H4 0.2863 0.4515 0.2940 0.018*
C5 0.24814 (3) 0.59657 (13) 0.30217 (5) 0.0153 (2)
C6 0.39737 (3) 0.33212 (13) 0.52766 (5) 0.0162 (2)
C7 0.43388 (3) 0.27923 (14) 0.53864 (5) 0.0203 (2)
H7 0.4528 0.2653 0.5723 0.024*
C8 0.43682 (3) 0.25154 (14) 0.49081 (5) 0.0188 (2)
C9 0.34281 (3) 0.39855 (12) 0.44186 (5) 0.0130 (2)
H9 0.3273 0.4239 0.4591 0.016*
C10 0.37858 (3) 0.33624 (12) 0.47234 (4) 0.0130 (2)
C11 0.21126 (4) 0.61055 (17) 0.19984 (5) 0.0276 (3)
H11A 0.1864 0.5700 0.1836 0.041*
H11B 0.2294 0.5409 0.1993 0.041*
H11C 0.2128 0.6950 0.1805 0.041*
C12 0.20565 (4) 0.83487 (16) 0.36880 (6) 0.0271 (3)
H12A 0.1968 0.7701 0.3887 0.041*
H12B 0.1860 0.9015 0.3494 0.041*
H12C 0.2271 0.8871 0.3928 0.041*
C13 0.38282 (4) 0.38196 (15) 0.56799 (5) 0.0223 (3)
H13A 0.3925 0.3204 0.5987 0.033*
H13B 0.3558 0.3781 0.5528 0.033*
H13C 0.3909 0.4793 0.5783 0.033*
C14 0.46908 (4) 0.19499 (18) 0.47990 (6) 0.0269 (3)
H14A 0.4664 0.0926 0.4744 0.040*
H14B 0.4922 0.2154 0.5097 0.040*
H14C 0.4694 0.2405 0.4486 0.040*
C15 0.30577 (3) 0.72302 (13) 0.43400 (5) 0.0145 (2)
C16 0.32840 (3) 0.71257 (14) 0.48853 (5) 0.0183 (2)
H16 0.3265 0.6307 0.5069 0.022*
C17 0.35365 (4) 0.82052 (15) 0.51619 (5) 0.0232 (3)
H17 0.3683 0.8095 0.5523 0.028*
C18 0.35698 (4) 0.94472 (15) 0.48990 (6) 0.0227 (3)
H18 0.3740 1.0166 0.5081 0.027*
C19 0.33456 (3) 0.95978 (14) 0.43616 (5) 0.0204 (2)
H19 0.3362 1.0429 0.4182 0.024*
C20 0.30948 (3) 0.85026 (14) 0.40885 (5) 0.0169 (2)
H20 0.2948 0.8622 0.3728 0.020*
C21 0.25614 (3) 0.49982 (13) 0.42871 (5) 0.0153 (2)
C22 0.24846 (4) 0.55218 (15) 0.47120 (5) 0.0201 (2)
H22 0.2590 0.6395 0.4868 0.024*
C23 0.22553 (4) 0.47721 (16) 0.49090 (6) 0.0248 (3)
H23 0.2208 0.5149 0.5191 0.030*
C24 0.20988 (4) 0.34677 (17) 0.46852 (6) 0.0264 (3)
H24 0.1945 0.2967 0.4815 0.032*
C25 0.21726 (4) 0.29067 (16) 0.42660 (6) 0.0255 (3)
H25 0.2069 0.2027 0.4115 0.031*
C26 0.24024 (4) 0.36678 (14) 0.40731 (5) 0.0202 (2)
H26 0.2451 0.3280 0.3794 0.024*
C27 0.43375 (3) −0.28913 (13) 0.40831 (5) 0.0175 (2)
C28 0.45615 (3) −0.36608 (14) 0.38775 (5) 0.0196 (2)
H28 0.4653 −0.4590 0.3975 0.023*
C29 0.46249 (3) −0.27972 (13) 0.34988 (5) 0.0174 (2)
C30 0.40967 (3) −0.02301 (13) 0.38073 (5) 0.0144 (2)
H30 0.3961 −0.0015 0.4013 0.017*
C31 0.42742 (3) −0.15553 (13) 0.38206 (5) 0.0148 (2)
C32 0.38975 (4) 0.50208 (13) 0.24742 (5) 0.0181 (2)
C33 0.37060 (4) 0.63201 (14) 0.24531 (5) 0.0205 (2)
H33 0.3672 0.7062 0.2210 0.025*
C34 0.35765 (3) 0.63074 (13) 0.28564 (5) 0.0169 (2)
C35 0.40286 (3) 0.28191 (13) 0.30507 (5) 0.0133 (2)
H35 0.4162 0.2411 0.2868 0.016*
C36 0.38830 (3) 0.42279 (12) 0.28997 (5) 0.0134 (2)
C37 0.41910 (4) −0.33688 (15) 0.44863 (6) 0.0249 (3)
H37A 0.4000 −0.4088 0.4332 0.037*
H37B 0.4086 −0.2557 0.4596 0.037*
H37C 0.4393 −0.3767 0.4789 0.037*
C38 0.48429 (4) −0.31359 (16) 0.31717 (6) 0.0250 (3)
H38A 0.4675 −0.3172 0.2803 0.038*
H38B 0.4965 −0.4053 0.3278 0.038*
H38C 0.5029 −0.2402 0.3224 0.038*
C39 0.40815 (5) 0.45668 (17) 0.21104 (6) 0.0298 (3)
H39A 0.4037 0.5284 0.1839 0.045*
H39B 0.3978 0.3662 0.1948 0.045*
H39C 0.4348 0.4463 0.2311 0.045*
C40 0.33591 (4) 0.74289 (14) 0.30055 (6) 0.0216 (3)
H40A 0.3094 0.7282 0.2804 0.032*
H40B 0.3429 0.8369 0.2929 0.032*
H40C 0.3414 0.7357 0.3379 0.032*
C41 0.48072 (3) 0.08365 (13) 0.34137 (5) 0.0149 (2)
C42 0.48956 (3) 0.19336 (15) 0.31307 (6) 0.0208 (2)
H42 0.4733 0.2115 0.2780 0.025*
C43 0.52218 (4) 0.27609 (16) 0.33629 (7) 0.0286 (3)
H43 0.5272 0.3493 0.3169 0.034*
C44 0.54701 (4) 0.24960 (18) 0.38809 (7) 0.0351 (4)
H44 0.5684 0.3063 0.4038 0.042*
C45 0.53984 (4) 0.13815 (19) 0.41650 (6) 0.0311 (3)
H45 0.5568 0.1177 0.4510 0.037*
C46 0.50701 (3) 0.05686 (16) 0.39314 (5) 0.0210 (3)
H46 0.5024 −0.0175 0.4126 0.025*
C47 0.41858 (3) −0.01123 (12) 0.25487 (5) 0.0137 (2)
C48 0.43772 (4) −0.04160 (15) 0.22195 (5) 0.0200 (2)
H48 0.4637 −0.0530 0.2374 0.024*
C49 0.41897 (4) −0.05517 (16) 0.16701 (5) 0.0249 (3)
H49 0.4324 −0.0759 0.1463 0.030*
C50 0.38008 (4) −0.03782 (16) 0.14297 (5) 0.0249 (3)
H50 0.3674 −0.0478 0.1063 0.030*
C51 0.36033 (4) −0.00554 (14) 0.17412 (5) 0.0212 (3)
H51 0.3344 0.0077 0.1583 0.025*
C52 0.37942 (3) 0.00700 (13) 0.22923 (5) 0.0156 (2)
H52 0.3658 0.0281 0.2496 0.019*
B4 0.27685 (3) 0.59844 (14) 0.39981 (5) 0.0138 (2)
B30 0.44094 (3) −0.00250 (14) 0.31856 (5) 0.0132 (2)

1 Source of materials

Treatment of the tetramethyl bis-(pyrrole imine) hydrazine with one equivalent of BPh3 in toluene for 1 h resulted in formation of the titled compound N-(4,6-dimethyl-1,1-diphenyl-1l4,7l4-pyrrolo[2,1-e][1,3,2]diazaborol-2(1H)-yl)-1-(3,5-dimethyl-1H-pyrrol-2-yl)methanimine. This was isolated by column chromatography in 54 % yield. Good quality single crystals were obtained by slow evaporation from a DCM/hexane mixtures (1:2).

2 Experimental details

The structure of the title compound was solved using SHELXT [2] and refined by SHELXL program [3] through the Olex2 interface [4]. All hydrogen atoms were positioned at calculated coordinates and refined isotropically.

3 Comment

In recent years BOPHY dyes have rapidly found utility in various applications due to their outstanding photophysical characteristics and facile synthesis [5], [6], [7], [8], including energy-transfer cascades [9], cell imaging [10], photosensitizers for solar cells [11], photodynamic therapy [12], [13], and fluorescence sensors [9], [10]. Consequently, there is a need for synthetic modifications capable of modulating or enhancing the photophysical and photochemical properties of BOPHY dyes to extend their applications further [14]. There are two crystallographically independent molecules in the asymmetric unit. Single structural analysis revealed the presence of the five-membered ring. The compound showed a highly twisted conformation of the BOPHY core in solid state owing to the presence of the two phenyl rings with dihedral angles of 85.5° and 61.75° respectively. The two adjacent BOPHY molecules form a dimer structure via hydrogen-bonds.

Corresponding authors: Arshad Khan, Nanomedicine Department, King Abdullah International Medical Research Center (KAIMRC), King Saud Bin Abdulaziz University for Health Sciences, Ministry of National Guard Health Affairs, Riyadh 11426, Kingdom of Saudi Arabia; and Rabia Usman, School of Chemistry and Environmental Engineering, Sichuan University of Science & Engineering, Zigong, Sichuan 643000, China, E-mail: (A. Khan), (R. Usman)

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

  2. Research funding: Princess Nourah bint Abdulrahman University Researchers Supporting Project number (PNURSP2024R76), Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia. A. K thanks the support of King Abdullah International Medical Research Center (KAIMRC) through start up grant NRC23R/746/11.

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

References

1. Rigaku, O. D. CrysAlispro; Rigaku Oxford Diffraction Ltd: Yarnton, Oxfordshire, England, 2015.Suche in Google Scholar

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

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

5. Tamgho, I. S., Hasheminasab, A., Engle, J. T., Nemykin, V. N., Ziegler, C. J. A new highly fluorescent and symmetric pyrrole–BF2 chromophore: BOPHY. J. Am. Chem. Soc. 2014, 136, 5623–5626; https://doi.org/10.1021/ja502477a.Suche in Google Scholar PubMed

6. Wang, L., Tamgho, I. S., Crandall, L. A., Rack, J. J., Ziegler, C. J. Ultrafast dynamics of a new class of highly fluorescent boron difluoride dyes. Phys. Chem. Chem. Phys. 2015, 17, 2349–2351; https://doi.org/10.1039/c4cp04737k.Suche in Google Scholar PubMed

7. Yu, C., Jiao, L., Zhang, P., Feng, Z., Cheng, C., Wei, Y., Mu, X., Hao, E. Highly fluorescent BF2 complexes of hydrazine-Schiff base linked bispyrrole. Org. Lett. 2014, 16, 3048–3051; https://doi.org/10.1021/ol501162f.Suche in Google Scholar PubMed

8. Huaulmé, Q., Mirloup, A., Retailleau, P., Ziessel, R. Synthesis of highly functionalized BOPHY chromophores displaying large Stokes shifts. Org. Lett. 2005, 17, 2246–2249; https://doi.org/10.1021/acs.orglett.5b00858.Suche in Google Scholar PubMed

9. Dai, C., Yang, D., Zhang, W., Bao, B., Cheng, Y., Wang, L. Far-red/near- infrared fluorescent conjugated polymer nanoparticles with size-dependent chirality and cell imaging applications. Polym. Chem. 2015, 6, 3962–3969; https://doi.org/10.1039/c5py00344j.Suche in Google Scholar

10. Zhang, C., Zhao, J. Triplet excited state of diiodo BOPHY derivatives: preparation, study of photophysical properties and application in triplet-triplet annihilation upconversion. J. Mater. Chem. C 2016, 4, 1623–1632; https://doi.org/10.1039/c5tc03193a.Suche in Google Scholar

11. Cui, T.-F., Zhang, J., Jiang, X.-D., Su, Y.-J., Sun, C.-L., Zhao, J.-L. Synthesis dibromo substituted BOPHY dye for the singlet oxygen generation. Chin. Chem. Lett. 2016, 27, 190–194; https://doi.org/10.1016/j.cclet.2015.11.010.Suche in Google Scholar

12. Jiang, X.-D., Su, Y., Yue, S., Li, C., Yu, H., Zhang, H., Sun, C.-L., Xiao, L.-J. Synthesis of mono-(p-dimethylamino)styryl-containing BOPHY dye for a turn-on pH sensor. RSC Adv. 2015, 5, 16735–16739; https://doi.org/10.1039/c4ra15914d.Suche in Google Scholar

13. Li, Y. D., Zhou, H., Yin, S., Jiang, H., Niu, N., Huang, H., Shahzad, S. A., Yu, C. A BOPHY probe for the fluorescence turn-on detection of Cu2+. Sens. Actuators, B 2016, 235, 33–38; https://doi.org/10.1016/j.snb.2016.05.055.Suche in Google Scholar

14. Lv, X., Li, T., Wu, Q., Yu, C., Jiao, L., Hao, E. Polybrominated BOPHY dyes: synthesis, reactivity, and properties. J. Org. Chem. 2018, 83, 1134–1145; https://doi.org/10.1021/acs.joc.7b02415.Suche in Google Scholar PubMed

Received: 2024-02-12
Accepted: 2024-03-24
Published Online: 2024-04-05
Published in Print: 2024-06-25

© 2024 the author(s), 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 tris((Z)-2-hydroxy-N-((E)-pyridin-2-ylmethylene)benzohydrazonato-k2O,N)europium(III), C39H30N9O6Eu
  4. Crystal structure of (E)-3-(benzylideneamino)-2-phenylthiazolidin-4-one, C16H14N2OS
  5. The crystal structure of (E)-4-fluoro-N′-(1-(o-tolyl)ethylidene)benzohydrazide, C16H15FN2O
  6. Crystal structure of (6-chloropyridin-3-yl)methyl 2-(6-methoxynaphthalen-2-yl)propanoate, C20H18ClNO3
  7. Crystal structure of methyl 3-methoxy-4-(2-methoxy-2-oxoethoxy)benzoate, C12H14O6
  8. The crystal structure of bis[(4-methoxyphenyl)(picolinoyl)amido-κ2 N:N′]copper(II), C26H22CuN4O4
  9. The crystal structure of poly[di(μ2-aqua)-diaqua-bis(3-aminopyridine-4-carboxylate-κ2 O: O′)-tetra(μ2-3-aminopyridine-4-carboxylate-κ2 O: O′)-dineodymium(III), [Nd2(C6H5N2O2)6(H2O)4] n
  10. The crystal structure of t-butyl 7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoate, C28H34FNO4
  11. Crystal structure of catena-poly[(benzylamine-κ1 N)-(sorbato-κ1 O)-(μ2-sorbato-κ2 O,O′)-copper(II), C19H23CuNO4
  12. Crystal structure of (4-(2-chlorophenyl)-1H-pyrrol-3-yl)(ferrocenyl) methanone, C21H16ClFeNO
  13. The crystal structure of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-methylphenyl)-2-sulfanylprop-2-enamide hydrate, C19H17BrN2O2S2
  14. The crystal structure of N′-{5-[2-(2,6-dimethylphenoxy) acetamido]-4-hydroxy-1,6-diphenylhexan-2-yl}-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide hydrate
  15. Crystal structure of 2-(naphthalen-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate, C26H24O3
  16. Crystal structure of naphthalen-1-ylmethyl 2-(6-methoxynaphthalen-2-yl)propanoate, C25H22O3
  17. Crystal structure of poly[diaqua- (μ4-5-(1H-1,2,4-triazol-1-yl)benzene-1,3-dicarboxylato-κ5N:O,O’:O’’:O’’’)calcium(II), C10H9CaN3O6
  18. Crystal structure of (E)-N′-(4-((E)-3-(dimethylamino)acryloyl)-3-hydroxyphenyl)-N, N-dimethylformimidamide, C14H19N3O2
  19. Crystal structure of (E)-3-(dimethylamino)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one, C13H17NO4
  20. Crystal structure of (2-chloropyridin-3-yl)methyl-2-(6-methoxynaphthalen-2-yl)propanoate, C20H18ClNO3
  21. The crystal structure of diethyl 4-(3,4-dimethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, C21H27NO4
  22. Crystal structure of (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-17-((4-(2-phenylpropyl)phenyl)ethynyl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one, C36H42O2
  23. Synthesis and crystal structure of 4-(4-cyclopropylnaphthalen-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, C15H13N3S
  24. Crystal structure of catena-poly[aqua-(2,6-di-(2-pyridyl)-pyridine-κ3 N,N′, N″)(μ2-1,4-naphthalene dicarboxylato-κ2 O,O′)nickel(II)], C27H19NiN3O5
  25. Crystal structure of 3-(diphenylphosphoryl)-3-hydroxy-1-phenylpropan-1-one, C21H19O3P
  26. The crystal structure of R,S-{N-[(2-oxidonaphthalen-1-yl)methylidene]phenylglycinato}divinylsilicon, C23H19NO3Si
  27. The crystal structure of 1,2,4-tris(bromomethyl)benzene, C9H9Br3
  28. Crystal structure of chlorido-[4-(pyridin-2-yl)benzaldehyde-κ2 N,C]-(diethylamine-κ1 N)platinum(II), C16H18ClN2OPt
  29. Crystal structure of 3-(methoxycarbonyl)-1-(4-methoxyphenyl)-2,3,4,9- tetrahydro-1H-pyrido[3,4-b]indol-2-ium chloride hydrate, C40H48Cl2N4O9
  30. The crystal structure of 1-(2-chlorobenzyl)-3-(3-chlorophenyl)urea, C14H12Cl2N2O
  31. Hydrothermal synthesis and crystal structure of aqua-tris(4-acetamidobenzoato-κ2 O,O′)-(1,10-phenanthroline-κ2 N,N′)terbium(III) hydrate C39H36N5O11Tb
  32. The crystal structure of zwitterionic 3-aminoisonicotinic acid, C6H6N2O2
  33. The crystal structure of bis{[monoaqua-μ2-4-[(pyridine-4-carbonyl)-amino]-phthalato-κ3 N:O,O′-(2,2′-bipyridine κ2 N,N′)copper(II)]}decahydrate, C48H56N8O22Cu2
  34. Crystal structure of poly[μ10-4,4′-methylene-bis(oxy)benzoatodipotassium], C15H10K2O6
  35. The crystal structure of catena-poly[[tetraaqua[(μ2-1,4-di(4-methyl-1-imidazolyl)benzene] cobalt(II)]bis(formate)], C16H24CoN4O8
  36. The crystal structure of (E)-2-chloro-5-((2-(nitromethylene)imidazolidin-1-yl)methyl)pyridine, C10H11ClN4O2
  37. The crystal structure of (E)-1-(((2-amino-4,5-dimethylphenyl)iminio)methyl)naphthalen-2-olate, C19H18N2O
  38. Crystal structure of N-(acridin-9-yl)-2-(4-methylpiperidin-1-yl) acetamide monohydrate, C21H25N3O2
  39. The crystal structure of dichlorido-bis(3-methyl-3-imidazolium-1-ylpropionato-κ2 O,O′)-zinc(II), C14H20Cl2N4O4Zn
  40. The crystal structure of 2,8-diethyl-1,3,7,9-tetramethyl-4λ4,5λ4-spiro[dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinine-5,2′-naphtho[1,8-de][1,3,2]dioxaborinine], C25H29BN2O2
  41. The crystal structure of 5-tert-butyl-2-(5-tert-butyl-3-iodo-benzofuran-2-yl)-3-iodobenzofuran, C24H24I2O2
  42. Synthesis and crystal structure of methyl 2-{[4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazole-3-yl]thio} acetate, C18H17N3O2S
  43. The crystal structure of n-propylammonium bis(2,3-dimethylbutane-2,3-diolato)borate-boric acid (1/1), [C3H10N][C12H24BO4]·B(OH)3
  44. Crystal structure of methyl 1-(2-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, C19H17BrN2O2
  45. Crystal structure of (4-bromobenzyl)triphenylphosphonium bromide ethanol solvate, C52H48Br4OP2
  46. The crystal structure of unsymmetrical BOPHY C26H27BN4
  47. The crystal structure of Tb3B5O11(OH)2
  48. The crystal structure of (Z)-4-ethyl-2-((4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylene)-3,5-dimethyl-2H-pyrrol-1-ium 2,2'-spirobi[naphtho[1,8-de][1,3,2]dioxaborinin]-2-uide, C37H37BN2O4
  49. Crystal structure of bis(methylammonium) hexadecaselenidopalladate(II), (CH3NH3)2PdSe16
  50. The crystal structure of (2-diphenylphosphanylphenyl) 2-[7-(dimethylamino)-2-oxochromen-4-yl]acetate, C31H26NO4P
  51. Crystal structure of (E)-6-(4-ethylpiperazin-1-yl)-2-(3-fluorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C23H25FN2O
  52. The structure of RUB-56, (C6H16N)8 [Si32O64(OH)8]·32 H2O, a hydrous layer silicate (2D-zeolite) that contains microporous levyne-type silicate layers
  53. Crystal structure of 4-amino-3,5-dibromobenzonitrile, C7H4Br2N2
  54. Crystal structure of 2-(naphthalen-1-yl)ethyl 2-acetoxybenzoate, C21H18O4
  55. Single-crystal structure determination of Tm3B12O19(OH)7
  56. Crystal structure determination of NdB3.6O7
  57. The crystal structure of NdB6O8(OH)5·H3BO3
  58. Crystal structure of 2-(5-ethylpyridin-2-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate, C23H25NO3
  59. Crystal structure of N-(1-(3,4-dimethoxyphenyl)-2-methylpropyl)aniline, C18H23NO2
  60. Crystal structure of Ba6Cd12Mn4SiF48
  61. Synthesis and crystal structure of 5-fluoro-1-methyl-2-oxo-3-(2-oxochroman-4-yl)indolin-3-yl acetate, C20H16FNO5
  62. The crystal structure of 6-methacryloylbenzo[d][1,3]dioxol-5-yl 4-nitrobenzenesulfonate, C17H13NO8S
  63. Crystal structure of ethyl 2-(3-benzyl-4-oxo-3,4-dihydrophthalazin-1-yl)- 2,2-difluoroacetate, C19H16F2N2O3
  64. The crystal structure of tetrakis(μ 2-(1H-benzimidazole-2-methoxo-κ2 N,O:O:O)-(n-butanol-κO)-chlorido)-tetranickel(II), C48H68Cl4N8O8Ni4
  65. Synthesis and crystal structure of trans-tetraaqua-bis((1-((7-hydroxy-3-(4-methoxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)piperidin-1-ium-4-carbonyl)oxy-κO)zinc(II)hexahydrate, C46H64N2O28S2Zn
  66. The crystal structure of 1-(4-carboxybutyl)-3-methyl-1H-imidazol-3-ium hexafluoridophosphate, C9H15F6N2O2P
  67. Crystal structure of 1-(4-chlorophenyl)-4-(2-furoyl)-3-phenyl-1H-pyrazol-5-ol, C20H13ClN2O3
  68. Crystal structure of dimethyl (R)-2-(3-(1-phenylethyl)thioureido)-[1,1′-biphenyl]-4,4′-dicarboxylate, C25H24N2O4S
  69. The crystal structure of 1-(3-carboxypropyl)-1H-imidazole-3-oxide, C7H10N2O3
  70. Synthesis and crystal structure of dimethyl 4,4′-(propane-1,3-diylbis(oxy))dibenzoate, C19H20O6
  71. Crystal structure of methyl-1-(p-tolyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, C20H20N2O2
  72. The crystal structure of 1-(1-adamantan-1-yl)ethyl-3-(3-methoxyphenyl)thiourea, C20H28N2OS
  73. The crystal structure of N,N′-carbonylbis(2,6-difluorobenzamide), C15H8F4N2O3
https://doi.org/10.1515/ncrs-2024-0061
Creative Commons
BY 4.0

Artikel in diesem Heft

  1. Frontmatter
  2. New Crystal Structures
  3. The crystal structure of tris((Z)-2-hydroxy-N-((E)-pyridin-2-ylmethylene)benzohydrazonato-k2O,N)europium(III), C39H30N9O6Eu
  4. Crystal structure of (E)-3-(benzylideneamino)-2-phenylthiazolidin-4-one, C16H14N2OS
  5. The crystal structure of (E)-4-fluoro-N′-(1-(o-tolyl)ethylidene)benzohydrazide, C16H15FN2O
  6. Crystal structure of (6-chloropyridin-3-yl)methyl 2-(6-methoxynaphthalen-2-yl)propanoate, C20H18ClNO3
  7. Crystal structure of methyl 3-methoxy-4-(2-methoxy-2-oxoethoxy)benzoate, C12H14O6
  8. The crystal structure of bis[(4-methoxyphenyl)(picolinoyl)amido-κ2 N:N′]copper(II), C26H22CuN4O4
  9. The crystal structure of poly[di(μ2-aqua)-diaqua-bis(3-aminopyridine-4-carboxylate-κ2 O: O′)-tetra(μ2-3-aminopyridine-4-carboxylate-κ2 O: O′)-dineodymium(III), [Nd2(C6H5N2O2)6(H2O)4] n
  10. The crystal structure of t-butyl 7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoate, C28H34FNO4
  11. Crystal structure of catena-poly[(benzylamine-κ1 N)-(sorbato-κ1 O)-(μ2-sorbato-κ2 O,O′)-copper(II), C19H23CuNO4
  12. Crystal structure of (4-(2-chlorophenyl)-1H-pyrrol-3-yl)(ferrocenyl) methanone, C21H16ClFeNO
  13. The crystal structure of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-methylphenyl)-2-sulfanylprop-2-enamide hydrate, C19H17BrN2O2S2
  14. The crystal structure of N′-{5-[2-(2,6-dimethylphenoxy) acetamido]-4-hydroxy-1,6-diphenylhexan-2-yl}-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide hydrate
  15. Crystal structure of 2-(naphthalen-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate, C26H24O3
  16. Crystal structure of naphthalen-1-ylmethyl 2-(6-methoxynaphthalen-2-yl)propanoate, C25H22O3
  17. Crystal structure of poly[diaqua- (μ4-5-(1H-1,2,4-triazol-1-yl)benzene-1,3-dicarboxylato-κ5N:O,O’:O’’:O’’’)calcium(II), C10H9CaN3O6
  18. Crystal structure of (E)-N′-(4-((E)-3-(dimethylamino)acryloyl)-3-hydroxyphenyl)-N, N-dimethylformimidamide, C14H19N3O2
  19. Crystal structure of (E)-3-(dimethylamino)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one, C13H17NO4
  20. Crystal structure of (2-chloropyridin-3-yl)methyl-2-(6-methoxynaphthalen-2-yl)propanoate, C20H18ClNO3
  21. The crystal structure of diethyl 4-(3,4-dimethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, C21H27NO4
  22. Crystal structure of (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-17-((4-(2-phenylpropyl)phenyl)ethynyl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one, C36H42O2
  23. Synthesis and crystal structure of 4-(4-cyclopropylnaphthalen-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, C15H13N3S
  24. Crystal structure of catena-poly[aqua-(2,6-di-(2-pyridyl)-pyridine-κ3 N,N′, N″)(μ2-1,4-naphthalene dicarboxylato-κ2 O,O′)nickel(II)], C27H19NiN3O5
  25. Crystal structure of 3-(diphenylphosphoryl)-3-hydroxy-1-phenylpropan-1-one, C21H19O3P
  26. The crystal structure of R,S-{N-[(2-oxidonaphthalen-1-yl)methylidene]phenylglycinato}divinylsilicon, C23H19NO3Si
  27. The crystal structure of 1,2,4-tris(bromomethyl)benzene, C9H9Br3
  28. Crystal structure of chlorido-[4-(pyridin-2-yl)benzaldehyde-κ2 N,C]-(diethylamine-κ1 N)platinum(II), C16H18ClN2OPt
  29. Crystal structure of 3-(methoxycarbonyl)-1-(4-methoxyphenyl)-2,3,4,9- tetrahydro-1H-pyrido[3,4-b]indol-2-ium chloride hydrate, C40H48Cl2N4O9
  30. The crystal structure of 1-(2-chlorobenzyl)-3-(3-chlorophenyl)urea, C14H12Cl2N2O
  31. Hydrothermal synthesis and crystal structure of aqua-tris(4-acetamidobenzoato-κ2 O,O′)-(1,10-phenanthroline-κ2 N,N′)terbium(III) hydrate C39H36N5O11Tb
  32. The crystal structure of zwitterionic 3-aminoisonicotinic acid, C6H6N2O2
  33. The crystal structure of bis{[monoaqua-μ2-4-[(pyridine-4-carbonyl)-amino]-phthalato-κ3 N:O,O′-(2,2′-bipyridine κ2 N,N′)copper(II)]}decahydrate, C48H56N8O22Cu2
  34. Crystal structure of poly[μ10-4,4′-methylene-bis(oxy)benzoatodipotassium], C15H10K2O6
  35. The crystal structure of catena-poly[[tetraaqua[(μ2-1,4-di(4-methyl-1-imidazolyl)benzene] cobalt(II)]bis(formate)], C16H24CoN4O8
  36. The crystal structure of (E)-2-chloro-5-((2-(nitromethylene)imidazolidin-1-yl)methyl)pyridine, C10H11ClN4O2
  37. The crystal structure of (E)-1-(((2-amino-4,5-dimethylphenyl)iminio)methyl)naphthalen-2-olate, C19H18N2O
  38. Crystal structure of N-(acridin-9-yl)-2-(4-methylpiperidin-1-yl) acetamide monohydrate, C21H25N3O2
  39. The crystal structure of dichlorido-bis(3-methyl-3-imidazolium-1-ylpropionato-κ2 O,O′)-zinc(II), C14H20Cl2N4O4Zn
  40. The crystal structure of 2,8-diethyl-1,3,7,9-tetramethyl-4λ4,5λ4-spiro[dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinine-5,2′-naphtho[1,8-de][1,3,2]dioxaborinine], C25H29BN2O2
  41. The crystal structure of 5-tert-butyl-2-(5-tert-butyl-3-iodo-benzofuran-2-yl)-3-iodobenzofuran, C24H24I2O2
  42. Synthesis and crystal structure of methyl 2-{[4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazole-3-yl]thio} acetate, C18H17N3O2S
  43. The crystal structure of n-propylammonium bis(2,3-dimethylbutane-2,3-diolato)borate-boric acid (1/1), [C3H10N][C12H24BO4]·B(OH)3
  44. Crystal structure of methyl 1-(2-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, C19H17BrN2O2
  45. Crystal structure of (4-bromobenzyl)triphenylphosphonium bromide ethanol solvate, C52H48Br4OP2
  46. The crystal structure of unsymmetrical BOPHY C26H27BN4
  47. The crystal structure of Tb3B5O11(OH)2
  48. The crystal structure of (Z)-4-ethyl-2-((4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylene)-3,5-dimethyl-2H-pyrrol-1-ium 2,2'-spirobi[naphtho[1,8-de][1,3,2]dioxaborinin]-2-uide, C37H37BN2O4
  49. Crystal structure of bis(methylammonium) hexadecaselenidopalladate(II), (CH3NH3)2PdSe16
  50. The crystal structure of (2-diphenylphosphanylphenyl) 2-[7-(dimethylamino)-2-oxochromen-4-yl]acetate, C31H26NO4P
  51. Crystal structure of (E)-6-(4-ethylpiperazin-1-yl)-2-(3-fluorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C23H25FN2O
  52. The structure of RUB-56, (C6H16N)8 [Si32O64(OH)8]·32 H2O, a hydrous layer silicate (2D-zeolite) that contains microporous levyne-type silicate layers
  53. Crystal structure of 4-amino-3,5-dibromobenzonitrile, C7H4Br2N2
  54. Crystal structure of 2-(naphthalen-1-yl)ethyl 2-acetoxybenzoate, C21H18O4
  55. Single-crystal structure determination of Tm3B12O19(OH)7
  56. Crystal structure determination of NdB3.6O7
  57. The crystal structure of NdB6O8(OH)5·H3BO3
  58. Crystal structure of 2-(5-ethylpyridin-2-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate, C23H25NO3
  59. Crystal structure of N-(1-(3,4-dimethoxyphenyl)-2-methylpropyl)aniline, C18H23NO2
  60. Crystal structure of Ba6Cd12Mn4SiF48
  61. Synthesis and crystal structure of 5-fluoro-1-methyl-2-oxo-3-(2-oxochroman-4-yl)indolin-3-yl acetate, C20H16FNO5
  62. The crystal structure of 6-methacryloylbenzo[d][1,3]dioxol-5-yl 4-nitrobenzenesulfonate, C17H13NO8S
  63. Crystal structure of ethyl 2-(3-benzyl-4-oxo-3,4-dihydrophthalazin-1-yl)- 2,2-difluoroacetate, C19H16F2N2O3
  64. The crystal structure of tetrakis(μ 2-(1H-benzimidazole-2-methoxo-κ2 N,O:O:O)-(n-butanol-κO)-chlorido)-tetranickel(II), C48H68Cl4N8O8Ni4
  65. Synthesis and crystal structure of trans-tetraaqua-bis((1-((7-hydroxy-3-(4-methoxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)piperidin-1-ium-4-carbonyl)oxy-κO)zinc(II)hexahydrate, C46H64N2O28S2Zn
  66. The crystal structure of 1-(4-carboxybutyl)-3-methyl-1H-imidazol-3-ium hexafluoridophosphate, C9H15F6N2O2P
  67. Crystal structure of 1-(4-chlorophenyl)-4-(2-furoyl)-3-phenyl-1H-pyrazol-5-ol, C20H13ClN2O3
  68. Crystal structure of dimethyl (R)-2-(3-(1-phenylethyl)thioureido)-[1,1′-biphenyl]-4,4′-dicarboxylate, C25H24N2O4S
  69. The crystal structure of 1-(3-carboxypropyl)-1H-imidazole-3-oxide, C7H10N2O3
  70. Synthesis and crystal structure of dimethyl 4,4′-(propane-1,3-diylbis(oxy))dibenzoate, C19H20O6
  71. Crystal structure of methyl-1-(p-tolyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, C20H20N2O2
  72. The crystal structure of 1-(1-adamantan-1-yl)ethyl-3-(3-methoxyphenyl)thiourea, C20H28N2OS
  73. The crystal structure of N,N′-carbonylbis(2,6-difluorobenzamide), C15H8F4N2O3
Jetzt anmelden und 20% sparen
Institutioneller Zugang
Wie funktioniert Authentifizierung?
Haben Sie eine Idee, wie wir unsere Website verbessern können?
Bitte schreiben Sie uns.
© 2025 De Gruyter Brill
Heruntergeladen am 20.12.2025 von https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2024-0061/html
Button zum nach oben scrollen