Abstract
C18H15BN2O2, monoclinic, C2/c (no. 15), a = 23.976(3) Å, b = 7.7690(9) Å, c = 32.940(4) Å, β = 95.17(1)°, V = 2482.26(15) Å3, Z = 4, R gt (F) = 0.0525, wR ref (F2) = 0.1415, T = 193 K.
Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters.

Data collection and handling.
| Crystal: | Colorless block |
| Size: | 0.12 × 0.10 × 0.10 mm |
| Wavelength: | Ga Kα radiation (1.34139 Å) |
| μ: | 0.44 mm−1 |
| Diffractometer, scan mode: | Bruker APEX-II, φ and ω |
| θmax, completeness: | 54.1°, >99% |
| N(hkl)measured, N(hkl)unique, Rint: | 32,343, 5654, 0.111 |
| Criterion for Iobs, N(hkl)gt: | Iobs > 2σ(Iobs), 3971 |
| N(param)refined: | 417 |
| Programs: | Bruker [1], Olex2 [2], SHELX [3, 4] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
| Atom | x | y | z | Uiso*/Ueq |
|---|---|---|---|---|
| B1 | 0.25359 (8) | 0.0517 (3) | 0.42812 (6) | 0.0308 (5) |
| B2 | 0.25748 (8) | 0.4684 (3) | 0.32213 (7) | 0.0323 (5) |
| C1 | 0.34121 (7) | −0.1085 (2) | 0.44729 (5) | 0.0304 (4) |
| C2 | 0.36867 (7) | −0.2552 (3) | 0.46092 (6) | 0.0356 (4) |
| H2A | 0.347972 | −0.356156 | 0.465833 | 0.043* |
| C3 | 0.42744 (7) | −0.2563 (3) | 0.46765 (6) | 0.0405 (5) |
| H3A | 0.446038 | −0.358012 | 0.477535 | 0.049* |
| C4 | 0.45818 (7) | −0.1139 (3) | 0.46021 (6) | 0.0395 (5) |
| H4A | 0.497810 | −0.117296 | 0.465186 | 0.047* |
| C5 | 0.43176 (7) | 0.0384 (3) | 0.44523 (5) | 0.0332 (4) |
| C6 | 0.46171 (7) | 0.1866 (3) | 0.43518 (6) | 0.0400 (5) |
| H6 | 0.501465 | 0.186198 | 0.438824 | 0.048* |
| C7 | 0.43422 (7) | 0.3305 (3) | 0.42026 (6) | 0.0403 (5) |
| H7 | 0.455226 | 0.427669 | 0.412996 | 0.048* |
| C8 | 0.37547 (7) | 0.3372 (3) | 0.41548 (6) | 0.0347 (4) |
| H8 | 0.357026 | 0.439269 | 0.405678 | 0.042* |
| C9 | 0.34476 (7) | 0.1962 (2) | 0.42498 (5) | 0.0302 (4) |
| C10 | 0.37196 (7) | 0.0426 (2) | 0.43938 (5) | 0.0295 (4) |
| C11 | 0.18792 (7) | 0.0672 (2) | 0.42894 (5) | 0.0305 (4) |
| C12 | 0.16802 (7) | 0.1215 (3) | 0.46529 (6) | 0.0361 (5) |
| H12 | 0.194054 | 0.148400 | 0.487859 | 0.043* |
| C13 | 0.11110 (7) | 0.1373 (3) | 0.46935 (6) | 0.0412 (5) |
| H13 | 0.098503 | 0.175494 | 0.494351 | 0.049* |
| C14 | 0.07299 (7) | 0.0971 (3) | 0.43689 (7) | 0.0445 (5) |
| H14 | 0.033993 | 0.105352 | 0.439713 | 0.053* |
| C15 | 0.09117 (7) | 0.0452 (3) | 0.40051 (6) | 0.0411 (5) |
| H15 | 0.064698 | 0.018592 | 0.378178 | 0.049* |
| C16 | 0.14833 (7) | 0.0312 (2) | 0.39614 (6) | 0.0320 (4) |
| C17 | 0.16820 (7) | −0.0220 (3) | 0.35678 (6) | 0.0354 (4) |
| C18 | 0.14121 (10) | −0.0963 (3) | 0.28807 (6) | 0.0564 (6) |
| H18A | 0.107888 | −0.091398 | 0.268548 | 0.085* |
| H18B | 0.155795 | −0.214146 | 0.289470 | 0.085* |
| H18C | 0.169905 | −0.018454 | 0.279194 | 0.085* |
| C19 | 0.33990 (7) | 0.6592 (2) | 0.33389 (5) | 0.0307 (4) |
| C20 | 0.36321 (8) | 0.8123 (3) | 0.34715 (6) | 0.0369 (5) |
| H20 | 0.339794 | 0.903344 | 0.354709 | 0.044* |
| C21 | 0.42158 (8) | 0.8358 (3) | 0.34965 (6) | 0.0394 (5) |
| H21 | 0.437322 | 0.942023 | 0.359276 | 0.047* |
| C22 | 0.45582 (7) | 0.7073 (3) | 0.33836 (6) | 0.0403 (5) |
| H22 | 0.495089 | 0.726197 | 0.339679 | 0.048* |
| C23 | 0.43369 (7) | 0.5465 (3) | 0.32473 (5) | 0.0343 (4) |
| C24 | 0.46764 (7) | 0.4084 (3) | 0.31320 (6) | 0.0422 (5) |
| H24 | 0.506840 | 0.424918 | 0.312748 | 0.051* |
| C25 | 0.44472 (8) | 0.2529 (3) | 0.30280 (6) | 0.0457 (5) |
| H25 | 0.468134 | 0.162026 | 0.295147 | 0.055* |
| C26 | 0.38678 (7) | 0.2243 (3) | 0.30320 (6) | 0.0387 (5) |
| H26 | 0.371565 | 0.113915 | 0.296563 | 0.046* |
| C27 | 0.35233 (7) | 0.3554 (3) | 0.31312 (5) | 0.0313 (4) |
| C28 | 0.37479 (7) | 0.5205 (2) | 0.32353 (5) | 0.0294 (4) |
| C29 | 0.19223 (7) | 0.4373 (2) | 0.31499 (6) | 0.0319 (4) |
| C30 | 0.17255 (7) | 0.3788 (3) | 0.27623 (6) | 0.0385 (5) |
| H30 | 0.198815 | 0.354355 | 0.257076 | 0.046* |
| C31 | 0.11602 (8) | 0.3552 (3) | 0.26476 (6) | 0.0425 (5) |
| H31 | 0.104020 | 0.314014 | 0.238252 | 0.051* |
| C32 | 0.07735 (8) | 0.3919 (3) | 0.29202 (6) | 0.0460 (5) |
| H32 | 0.038487 | 0.378438 | 0.284163 | 0.055* |
| C33 | 0.09511 (7) | 0.4479 (3) | 0.33066 (6) | 0.0410 (5) |
| H33 | 0.068258 | 0.472438 | 0.349386 | 0.049* |
| C34 | 0.15214 (7) | 0.4695 (2) | 0.34280 (6) | 0.0319 (4) |
| C35 | 0.17026 (7) | 0.5195 (2) | 0.38530 (6) | 0.0332 (4) |
| C36 | 0.13949 (8) | 0.6047 (3) | 0.44854 (6) | 0.0514 (6) |
| H36A | 0.154642 | 0.721773 | 0.450852 | 0.077* |
| H36B | 0.167050 | 0.523481 | 0.461268 | 0.077* |
| H36C | 0.105005 | 0.598268 | 0.462333 | 0.077* |
| N1 | 0.28281 (6) | −0.0999 (2) | 0.44083 (5) | 0.0350 (4) |
| H1 | 0.263317 | −0.193354 | 0.444861 | 0.042* |
| N2 | 0.28626 (5) | 0.1981 (2) | 0.42147 (4) | 0.0331 (4) |
| H2 | 0.268986 | 0.295362 | 0.414785 | 0.040* |
| N3 | 0.29445 (6) | 0.3338 (2) | 0.31391 (5) | 0.0351 (4) |
| H3 | 0.280314 | 0.230524 | 0.309010 | 0.042* |
| N4 | 0.28210 (6) | 0.6312 (2) | 0.33078 (5) | 0.0352 (4) |
| H4 | 0.259957 | 0.719190 | 0.334372 | 0.042* |
| O1 | 0.21712 (5) | −0.0419 (2) | 0.35101 (4) | 0.0477 (4) |
| O2 | 0.12658 (5) | −0.0446 (2) | 0.32767 (4) | 0.0515 (4) |
| O3 | 0.12742 (5) | 0.5614 (2) | 0.40618 (4) | 0.0515 (4) |
| O4 | 0.21832 (5) | 0.52131 (18) | 0.40037 (4) | 0.0397 (3) |
Source of material
In air Bpin–B(dan) (Bpin = Bis(pinacolato)diboron; B(dan) = naphthalene-1,8-diamino boronamide; 0.1 mmol; 1.0 eq.), methyl 2-aminobenzoate (0.2 mmol 2.0 eq.), TBAI (0.01 eq.), NaOAc (0.15 eq.) and benzoylperoxide (0.01 eq.) were sequentially weighed and added to a screw-capped Schlenk tube containing a magnetic stir bar. The vessel was evacuated and refilled with nitrogen for three times. tBuONO (0.2 eq.) and MeCN (0.6 mL) were added in turn under N2 atmosphere using syringes through a septum, which was temporarily used to replace the screw cap. The reaction mixture was then vigorously stirred at 80 °C. The resulting mixture was filtered through a pad of Celite and the filter cake was washed with ethyl acetate (3 mL × 2). The combined filtrate was evaporated under vacuum to dryness and the residue was purified by column chromatography to yield the desired product as colorless solid.
Experimental details
All the H atoms were placed geometrically and refined without any constraints or restraints.
Comment
Organoboron chemistry has always been one of the hot topics in medicinal or material chemistry [5]. Such reagents can be used to form new C–C or C–X bonds [6, 7]. The most common boron-containing group Bpin has relatively high activity therefore it is not easy to control the reactivity in the chemical reactions. The naphthalene-1,8-diamino boronamide has a weak reactivity and has received much attention because it is robust enough to avoid the side reactions. The reagent will be converted to the corresponding boric acid under acidic hydrolysis conditions in order to participate in the following reactions [8], [9], [10], [11].
There are two molecules in the symmetric unit (see Figure). All bonds and angles in the crystal structure are within the normal ranges [8, 9, 12, 13]. The molecules are connected by hydrogen bonds to form a chain along the [010] direction. In conclusion we have shown that a further diazaborinin compound: methyl 2-(1H-naphtho[1,8-de] [1.3.2]diazaborinin-2(3H-yl)benzoate can be easily obtained.
Funding source: Science Research Foundation of Xijing University
Award Identifier / Grant number: XJ18T03
Acknowledgements
This project was funded by the Science Research Foundation of Xijing University (XJ18T03). This work was supported by the Youth Innovation Team of Shaanxi Universities.
-
Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
-
Research funding: Science Research Foundation of Xijing University (XJ18T03).
-
Conflict of interest statement: The authors declare no conflicts of interest regarding this article.
References
1. Bruker. APEX-2 SAINT+ Version 6.02 (Includes XPREP and SADABS); Bruker AXS Inc. Madison WI USA, 2016.Search in Google Scholar
2. 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
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. Sheldrick, G. M. Crystal structure refinement with SHELXL. Acta Crystallogr. 2015, C71, 3–8. https://doi.org/10.1107/s2053229614024218.Search in Google Scholar
5. Hall, D. J. Boronic Acids; Wiley: Weinheim, Germany, 2011.10.1002/9783527639328Search in Google Scholar
6. Lennox, A. J., Lloyd-Jones, G. C. Selection of boron reagents for Suzuki–Miyaura coupling. Chem. Soc. Rev. 2014, 43, 412–413. https://doi.org/10.1039/c3cs60197h.Search in Google Scholar PubMed
7. Fyfe, J. W. B., Watson, A. J. B. Recent development in organoboron chemistry: old dogs new tricks. Inside Chem. 2017, 3, 31–55. https://doi.org/10.1016/j.chempr.2017.05.008.Search in Google Scholar
8. Slabber, C. A., Grimmer, C., Akerman, M. P., Robinson, R. S. 2-Phenylnaphtho[1,8-de[1,3,2]diazaborinane. Acta Crystallogr. 2011, E67, o1995. https://doi.org/10.1107/s1600536811026985.Search in Google Scholar PubMed PubMed Central
9. Ding, S., Zhu, M., Miao, Z. The crystal structure of 2(4-bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C16H12BBrN2. Z. Kristallogr. N. Cryst. Struct. 2021, 236, 383–384.10.1515/ncrs-2020-0556Search in Google Scholar
10. Xu, L., Zhang, S., Li, P. Boron-selective reactions as powerful tools for modular synthesis of synthesis of diverse complex molecules. Chem. Soc. Rev. 2015, 44, 8848–8858. https://doi.org/10.1039/c5cs00338e.Search in Google Scholar PubMed
11. Takaya, J., Iwasawa, N. Catalytic direct synthesis of bis(boronate) compounds. ACS Catal. 2012, 2, 1993–2006. https://doi.org/10.1021/cs300320u.Search in Google Scholar
12. Ding, S., Miao, Z.-C. The crystal structure of 2-(3,5-difluorophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C16H11BF2N2. Z. Kristallogr. N. Cryst. Struct. 2021, 236, 737–739. https://doi.org/10.1515/ncrs-2021-0002.Search in Google Scholar
13. Ren, H., Miao, Z.-C. The crystal structure of methyl 4-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)benzoate, C18H15BF2N2. Z. Kristallogr. N. Cryst. Struct. 2021, 236, 807–808. https://doi.org/10.1515/ncrs-2021-0082.Search in Google Scholar
© 2021 Wenqi Song and Zongcheng Miao, published by De Gruyter, Berlin/Boston
This work is licensed under the Creative Commons Attribution 4.0 International License.
Articles in the same Issue
- Frontmatter
- New Crystal Structures
- Crystal structure of [aqua-(4-iodopyridine-2,6-dicarboxylato-κ3 O,N,O′)-(1,10-phenanothroline-κ2 N,N′)copper(II)] dihydrate, C19H16O7N3CuI
- The crystal structure of tetrakis(1-isopropyl-1H-imidazolium) octamolybdate, C24H44Mo8N8O26
- Crystal structure of catena-poly[bis(µ2-3,5-bis(1-imidazolyl)pyridine-κ2 N:N′)-(µ2-3-nitrophthalato-k3 O,O′:O″)cadmium(II)] dihydrate, C30H25N11O8Cd
- The crystal structure of diaqua-bis(2-(3-(1H-pyrazol-4-yl)-1H-1,2,4-triazol-5-yl)pyridine-κ2 N:N′)-bis(3,5-dicarboxybenzoato-κ1 O)cobalt(II), C38H30CoN12O14
- Crystal structure of the nickel(II) complex aqua-(2,6-di(pyrazin-2-yl)-4,4′-bipyridine-κ3 N,N′,N′′)-(phthalato-κ2 O,O′)nickel(II) tetrahydrate, C26H26N6O9Ni
- The crystal structure of 1-[5-(2-fluorophenyl)-1-(pyridine-3-sulfonyl)-1H-pyrrol-3-yl]-N-methylmethanaminium 3-carboxyprop-2-enoate, C21H20FN3O6S
- The crystal structure of 1,2-bis(4-pyridyl)ethane - 4,4-dihydroxydiphenylmethane (1/1), C25H21N2O2
- Crystal structure of bis(2-((E)-5-chloro-2-hydroxybenzylidene)hydrazineyl)methaniminium trifluoroacetate dihydrate, C34H36Cl4N10O12
- Crystal structure of 1-cyclopropyl-7-ethoxy-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, C15H13F2NO4
- Crystal structure of methyl 3-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)benzoate, C18H15BN2O2
- Crystal structure of (E)-N′-(2-chloro-6-hydroxybenzylidene)-2-hydroxybenzohydrazide, C14H11ClN2O3
- Crystal structure of Al-rich fluorophlogopite, K1.0(Mg2.8Al0.2)(Si2.8Al1.2)O10F2
- The crystal structure of 4,5-diiodo-1,3-dimesityl-1H-1,2,3-triazol-3-ium hexafluoridoantimonate(V), C20H22F6I2N3Sb
- Crystal structure of tris(3-iodopyridin-1-ium) catena-poly[(hexachlorido-κ1 Cl)-(μ2-trichlorido-κ2 Cl:Cl)diantimony(III)], C15H15Cl9I3N3Sb2
- Crystal structure of methyl 2-(1H-naphtho[1,8-de][1.3.2]diazaborinin-2(3H-yl)benzoate C18H15BN2O2
- The crystal structure of 1,8-bis(4-methoxybenzoyl)naphthalene-2,7-diyl dibenzoate, C40H28O8
- Crystal structure of 2-bromo-1,3,6,8-tetramethylBOPHY (BOPHY = bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene)hydrazine), C14H15B2BrF4N4
- The crystal structure of (E)-3-chloro-2-(2-(2-fluorobenzylidene)hydrazinyl)pyridine, C12H9ClFN3
- Crystal structure of bis(µ2- 4-iodopyridine-2,6-dicarboxylato-κ3O:N:O′)-bis(4-iodopyridine-2,6-dicarboxylato-κ3O:N:O′)-bis(µ2-1-(4-pyridyl)piperazine-κ2N:N′)-hexa-aqua-tetra-copper(II), C46H46Cu4I4N10O22
- Crystal structure of poly[diaqua-(μ2-2,5-dihydroxyterephthalato-κ2O:O′)(μ2-bis(4-pyridylformyl)piperazine-κ2N:N′)cadmium(II)] dihydrate, C24H28CdN4O12
- Crystal structure of poly[aqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2N:N′)-(μ3-2,3,5,6-tetrafluoroterephthalato-κ3O:O′:O′′)cadmium(II)], C17H14N4O5F4Cd
- Crystal structure of 6-(quinolin-8-yl)benzo[a]phenanthridin-5(6H)-one, C26H16N2O
- The crystal structure of aqua-bis(6-chloropicolinato-κ2N,O)copper(II), C12H8Cl2N2O5Cu
- Crystal structure of catena-poly[diaqua-bis(μ2-4,4′-bipyridyl-κ2N:N′) disilver(I)] 4-oxidopyridine-3-sulfonate trihydrate, C25H29Ag2N5O9S
- The crystal structure of 4-(3-bromophenyl)pyrimidin-2-amine, C10H8BrN3
- Crystal structure of 6-oxo-4-phenyl-1-propyl-1,6-dihydropyridine-3-carbonitrile, C15H14N2O
- Crystal structure of 4-(2,2-difluoroethyl)-2,4-dimethyl-6-(trifluoromethyl)isoquinoline-1,3(2H,4H)-dione, C14H12F5NO2
- Crystal structure of dibromido-(1-methyl-1H-imidazole-κ1N)-(3-(3-methyl-1H-imidazol-3-ium-1-yl)propanoato-κ1O)zinc(II), C11H16Br2N4O2Zn
- The crystal structure of 1,1′-(((2 (dimethylamino)ethyl)azanediyl)bis(methylene)) bis(naphthalen-2-olato-κ4 N,N′,O,O′)-(pyridine-2,6-dicarboxylato-N,O,O′)- titanium(IV) ─ dichloromethane (2/1), C33H29N3O6Ti
- The layered crystal structure of bis(theophyllinium) hexachloridostannate (IV), C14H18N8O8SnCl6
- The crystal structre of 3-(1-ethenyl-1H-imidazol-3-ium-3-yl)propane-1-sulfonate, C8H12N2O3S
- Synthesis and crystal structure of di-tert-butyl 1″-acetyl-2,2″,9′-trioxo-4a′,9a′-dihydro-1′H,3′H,9′H-dispiro[indoline-3,2′-xanthene-4′,3″-indoline]-1,3′-dicarboxylate, C39H38N2O9
- The crystal structure of 4-chloro-2-(quinolin-8-yl)isoindoline-1,3-dione, C17H9ClN2O2
- The crystal structure of 1-fluoro-4-(p-tolylethynyl)benzene, C15H11F
- The crystal structure of bis[4-bromo-2-(1H-pyrazol-3-yl) phenolato-κ2N,O] copper(II), C18H12Br2CuN4O2
- The crystal structure of poly[(μ 3-imidazolato-κ 3 N:N:N′)(tetrahydrofuran- κ 1 O)lithium(I)], C7H11LiN2O
- Crystal structure of N′,N′′′-((1E,1′E)-(propane-2,2-diylbis(1H-pyrrole-5,2diyl))bis(methaneylylidene))di(nicotinohydrazide) pentahydrate, C25H24N8O2·5H2O
- Crystal structure of 3-(2-ethoxy-2-oxoethyl)-1-ethyl-1H-imidazol-3-ium hexafluoridophos-phate(V), C9H15F6N2O2P
- Crystal structure of (1,10-phenanthroline-κ2N,N′)-bis(3-thiophenecarboxylato-κ2O,O′)copper(II), C22H14N2O4S2Cu
- The crystal structure of 2-amino-3-carboxypyridin-1-ium iodide hemihydrate, C6H8IN2O2.5
- Crystal structure of (E)-7-methoxy-2-((6-methoxypyridin-2-yl)methylene)-tetralone, C18H17NO3
- The crystal structure of [μ-hydroxido-bis[(5,5′-dimethyl-2,2′-bipyridine-κ2N,N′)-tricarbonylrhenium(I)] bromide hemihydrate, C30H26N4O9Re2Br
- The crystal structure of 2,5-bis(3,5-dimethylphenyl)thiazolo[5,4-d]thiazole, C20H18N2S2
- The crystal structure of 5-benzoyl-1-[(E)-(4-fluorobenzylidene)amino]-4-phenylpyrimidin-2(1H)-one, C24H16FN3O2
- Crystal structure of monocarbonyl(N-nitroso-N-oxido-phenylamine-κ 2 O,O′)(tricyclohexylphosphine-κP)rhodium(I), C25H39N2O3PRh
- Crystal structure of poly[bis[μ3-1,3,5-tris[(1H-imidazol-1-yl)methyl]benzene-κ3N:N′:N″]nickel(II)] hexafluorosilicate, C36H36N12NiSiF6
- The crystal structure of 13-(pyrazole-1-yl-4-carbonitrile)-matrine, C19H25N5O
- Crystal structure of 3,5-bis((E)-4-methoxy-2-(trifluoromethyl)benzylidene)-1-methylpiperidin-4-one, C24H21F6NO3
- The crystal structure of N,N′-(Disulfanediyldi-2,1-phenylene)di(6′-methylpyridine)-2-carboxamide, C26H22N4O2S2
- Crystal structure of (E)-7-fluoro-2-(4-methoxy-2-(trifluoromethyl)benzylidene)-3,4-dihydronaphthalen-1(2H)-one, C19H14F4O2
- Crystal structure of ethyl 1-(4-fluorophenyl)-4-phenyl-1H-pyrrole-3-carboxylate, C19H16FNO2
- The crystal structure of cis-diaqua-bis (N-butyl-N-(pyridin-2-yl)pyridin-2-amine-κ2N,N′)cobalt(II)] dichloride trihydrate, C28H44Cl2N6O5Co
- Crystal structure of (E)-7-methoxy-2-((6-methoxypyridin-3-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one, C18H17NO3
- Crystal structure of (E)-2-((3-fluoropyridin-4-yl)methylene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C17H14FNO2
- The crystal structure of 6-bromohexanoic acid, C6H11BrO2
- The crystal structure of 4-chloro-thiophenol, C6H5ClS
- The crystal structure of 4-bromobenzyl chloride, C7H6BrCl
- The crystal structure of di-tert-butyl dicarbonate, C10H18O5
- The crystal structure of (2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-yl)methanol, C12H15ClO3
- The crystal structure of the co-crystal: 2-hydroxybenzoic acid – N′-(butan-2-ylidene)pyridine-4-carbohydrazide, C10H13N3O·C7H6O3
- Crystal structure and anti-inflammatory activity of (E)-7-fluoro-2-((5-methoxypyridin-3-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one, C17H14FNO2
- Crystal structure of (E)-7-fluoro-2-((6-methoxypyridin-3-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one, C17H14FNO2
- Crystal structure of 1,1′-(butane-1,4-diyl)bis(3-propyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C32H56F24N8P4
- The crystal structure of dichlorido-bis(3-methyl-3-imidazolium-1-ylpropionato-κ2)-cadmium(II), C14H20CdCl2N4O4
- Crystal structure of 1-(2-cyanobenzyl)-3-cyano-4-phenyl-4-(2-cyanobenzyl)-1,4-dihydropyridine monohydrate, C56H42N8O
- The crystal structure of 3-(carboxymethyl)-1-ethenyl-1H-imidazol-3-ium chloride, C7H9N2O2Cl
- The crystal structure of adamantylmethoxydiphenylsilane, C23H28OSi
- Redetermination of the crystal structure of (2E,4Z,13E,15Z)-3,5,14,16-tetramethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene, C22H24N4
- Crystal structure of (E)-7-hydroxy-2-((6-methoxypyridin-2-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one, C17H15NO3
- Crystal structure of catena-poly[diaqua-bis(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2 N:N′)cobalt(II)] dinitrate, C18H28N10O8Co
Articles in the same Issue
- Frontmatter
- New Crystal Structures
- Crystal structure of [aqua-(4-iodopyridine-2,6-dicarboxylato-κ3 O,N,O′)-(1,10-phenanothroline-κ2 N,N′)copper(II)] dihydrate, C19H16O7N3CuI
- The crystal structure of tetrakis(1-isopropyl-1H-imidazolium) octamolybdate, C24H44Mo8N8O26
- Crystal structure of catena-poly[bis(µ2-3,5-bis(1-imidazolyl)pyridine-κ2 N:N′)-(µ2-3-nitrophthalato-k3 O,O′:O″)cadmium(II)] dihydrate, C30H25N11O8Cd
- The crystal structure of diaqua-bis(2-(3-(1H-pyrazol-4-yl)-1H-1,2,4-triazol-5-yl)pyridine-κ2 N:N′)-bis(3,5-dicarboxybenzoato-κ1 O)cobalt(II), C38H30CoN12O14
- Crystal structure of the nickel(II) complex aqua-(2,6-di(pyrazin-2-yl)-4,4′-bipyridine-κ3 N,N′,N′′)-(phthalato-κ2 O,O′)nickel(II) tetrahydrate, C26H26N6O9Ni
- The crystal structure of 1-[5-(2-fluorophenyl)-1-(pyridine-3-sulfonyl)-1H-pyrrol-3-yl]-N-methylmethanaminium 3-carboxyprop-2-enoate, C21H20FN3O6S
- The crystal structure of 1,2-bis(4-pyridyl)ethane - 4,4-dihydroxydiphenylmethane (1/1), C25H21N2O2
- Crystal structure of bis(2-((E)-5-chloro-2-hydroxybenzylidene)hydrazineyl)methaniminium trifluoroacetate dihydrate, C34H36Cl4N10O12
- Crystal structure of 1-cyclopropyl-7-ethoxy-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, C15H13F2NO4
- Crystal structure of methyl 3-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)benzoate, C18H15BN2O2
- Crystal structure of (E)-N′-(2-chloro-6-hydroxybenzylidene)-2-hydroxybenzohydrazide, C14H11ClN2O3
- Crystal structure of Al-rich fluorophlogopite, K1.0(Mg2.8Al0.2)(Si2.8Al1.2)O10F2
- The crystal structure of 4,5-diiodo-1,3-dimesityl-1H-1,2,3-triazol-3-ium hexafluoridoantimonate(V), C20H22F6I2N3Sb
- Crystal structure of tris(3-iodopyridin-1-ium) catena-poly[(hexachlorido-κ1 Cl)-(μ2-trichlorido-κ2 Cl:Cl)diantimony(III)], C15H15Cl9I3N3Sb2
- Crystal structure of methyl 2-(1H-naphtho[1,8-de][1.3.2]diazaborinin-2(3H-yl)benzoate C18H15BN2O2
- The crystal structure of 1,8-bis(4-methoxybenzoyl)naphthalene-2,7-diyl dibenzoate, C40H28O8
- Crystal structure of 2-bromo-1,3,6,8-tetramethylBOPHY (BOPHY = bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene)hydrazine), C14H15B2BrF4N4
- The crystal structure of (E)-3-chloro-2-(2-(2-fluorobenzylidene)hydrazinyl)pyridine, C12H9ClFN3
- Crystal structure of bis(µ2- 4-iodopyridine-2,6-dicarboxylato-κ3O:N:O′)-bis(4-iodopyridine-2,6-dicarboxylato-κ3O:N:O′)-bis(µ2-1-(4-pyridyl)piperazine-κ2N:N′)-hexa-aqua-tetra-copper(II), C46H46Cu4I4N10O22
- Crystal structure of poly[diaqua-(μ2-2,5-dihydroxyterephthalato-κ2O:O′)(μ2-bis(4-pyridylformyl)piperazine-κ2N:N′)cadmium(II)] dihydrate, C24H28CdN4O12
- Crystal structure of poly[aqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2N:N′)-(μ3-2,3,5,6-tetrafluoroterephthalato-κ3O:O′:O′′)cadmium(II)], C17H14N4O5F4Cd
- Crystal structure of 6-(quinolin-8-yl)benzo[a]phenanthridin-5(6H)-one, C26H16N2O
- The crystal structure of aqua-bis(6-chloropicolinato-κ2N,O)copper(II), C12H8Cl2N2O5Cu
- Crystal structure of catena-poly[diaqua-bis(μ2-4,4′-bipyridyl-κ2N:N′) disilver(I)] 4-oxidopyridine-3-sulfonate trihydrate, C25H29Ag2N5O9S
- The crystal structure of 4-(3-bromophenyl)pyrimidin-2-amine, C10H8BrN3
- Crystal structure of 6-oxo-4-phenyl-1-propyl-1,6-dihydropyridine-3-carbonitrile, C15H14N2O
- Crystal structure of 4-(2,2-difluoroethyl)-2,4-dimethyl-6-(trifluoromethyl)isoquinoline-1,3(2H,4H)-dione, C14H12F5NO2
- Crystal structure of dibromido-(1-methyl-1H-imidazole-κ1N)-(3-(3-methyl-1H-imidazol-3-ium-1-yl)propanoato-κ1O)zinc(II), C11H16Br2N4O2Zn
- The crystal structure of 1,1′-(((2 (dimethylamino)ethyl)azanediyl)bis(methylene)) bis(naphthalen-2-olato-κ4 N,N′,O,O′)-(pyridine-2,6-dicarboxylato-N,O,O′)- titanium(IV) ─ dichloromethane (2/1), C33H29N3O6Ti
- The layered crystal structure of bis(theophyllinium) hexachloridostannate (IV), C14H18N8O8SnCl6
- The crystal structre of 3-(1-ethenyl-1H-imidazol-3-ium-3-yl)propane-1-sulfonate, C8H12N2O3S
- Synthesis and crystal structure of di-tert-butyl 1″-acetyl-2,2″,9′-trioxo-4a′,9a′-dihydro-1′H,3′H,9′H-dispiro[indoline-3,2′-xanthene-4′,3″-indoline]-1,3′-dicarboxylate, C39H38N2O9
- The crystal structure of 4-chloro-2-(quinolin-8-yl)isoindoline-1,3-dione, C17H9ClN2O2
- The crystal structure of 1-fluoro-4-(p-tolylethynyl)benzene, C15H11F
- The crystal structure of bis[4-bromo-2-(1H-pyrazol-3-yl) phenolato-κ2N,O] copper(II), C18H12Br2CuN4O2
- The crystal structure of poly[(μ 3-imidazolato-κ 3 N:N:N′)(tetrahydrofuran- κ 1 O)lithium(I)], C7H11LiN2O
- Crystal structure of N′,N′′′-((1E,1′E)-(propane-2,2-diylbis(1H-pyrrole-5,2diyl))bis(methaneylylidene))di(nicotinohydrazide) pentahydrate, C25H24N8O2·5H2O
- Crystal structure of 3-(2-ethoxy-2-oxoethyl)-1-ethyl-1H-imidazol-3-ium hexafluoridophos-phate(V), C9H15F6N2O2P
- Crystal structure of (1,10-phenanthroline-κ2N,N′)-bis(3-thiophenecarboxylato-κ2O,O′)copper(II), C22H14N2O4S2Cu
- The crystal structure of 2-amino-3-carboxypyridin-1-ium iodide hemihydrate, C6H8IN2O2.5
- Crystal structure of (E)-7-methoxy-2-((6-methoxypyridin-2-yl)methylene)-tetralone, C18H17NO3
- The crystal structure of [μ-hydroxido-bis[(5,5′-dimethyl-2,2′-bipyridine-κ2N,N′)-tricarbonylrhenium(I)] bromide hemihydrate, C30H26N4O9Re2Br
- The crystal structure of 2,5-bis(3,5-dimethylphenyl)thiazolo[5,4-d]thiazole, C20H18N2S2
- The crystal structure of 5-benzoyl-1-[(E)-(4-fluorobenzylidene)amino]-4-phenylpyrimidin-2(1H)-one, C24H16FN3O2
- Crystal structure of monocarbonyl(N-nitroso-N-oxido-phenylamine-κ 2 O,O′)(tricyclohexylphosphine-κP)rhodium(I), C25H39N2O3PRh
- Crystal structure of poly[bis[μ3-1,3,5-tris[(1H-imidazol-1-yl)methyl]benzene-κ3N:N′:N″]nickel(II)] hexafluorosilicate, C36H36N12NiSiF6
- The crystal structure of 13-(pyrazole-1-yl-4-carbonitrile)-matrine, C19H25N5O
- Crystal structure of 3,5-bis((E)-4-methoxy-2-(trifluoromethyl)benzylidene)-1-methylpiperidin-4-one, C24H21F6NO3
- The crystal structure of N,N′-(Disulfanediyldi-2,1-phenylene)di(6′-methylpyridine)-2-carboxamide, C26H22N4O2S2
- Crystal structure of (E)-7-fluoro-2-(4-methoxy-2-(trifluoromethyl)benzylidene)-3,4-dihydronaphthalen-1(2H)-one, C19H14F4O2
- Crystal structure of ethyl 1-(4-fluorophenyl)-4-phenyl-1H-pyrrole-3-carboxylate, C19H16FNO2
- The crystal structure of cis-diaqua-bis (N-butyl-N-(pyridin-2-yl)pyridin-2-amine-κ2N,N′)cobalt(II)] dichloride trihydrate, C28H44Cl2N6O5Co
- Crystal structure of (E)-7-methoxy-2-((6-methoxypyridin-3-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one, C18H17NO3
- Crystal structure of (E)-2-((3-fluoropyridin-4-yl)methylene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C17H14FNO2
- The crystal structure of 6-bromohexanoic acid, C6H11BrO2
- The crystal structure of 4-chloro-thiophenol, C6H5ClS
- The crystal structure of 4-bromobenzyl chloride, C7H6BrCl
- The crystal structure of di-tert-butyl dicarbonate, C10H18O5
- The crystal structure of (2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-yl)methanol, C12H15ClO3
- The crystal structure of the co-crystal: 2-hydroxybenzoic acid – N′-(butan-2-ylidene)pyridine-4-carbohydrazide, C10H13N3O·C7H6O3
- Crystal structure and anti-inflammatory activity of (E)-7-fluoro-2-((5-methoxypyridin-3-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one, C17H14FNO2
- Crystal structure of (E)-7-fluoro-2-((6-methoxypyridin-3-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one, C17H14FNO2
- Crystal structure of 1,1′-(butane-1,4-diyl)bis(3-propyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C32H56F24N8P4
- The crystal structure of dichlorido-bis(3-methyl-3-imidazolium-1-ylpropionato-κ2)-cadmium(II), C14H20CdCl2N4O4
- Crystal structure of 1-(2-cyanobenzyl)-3-cyano-4-phenyl-4-(2-cyanobenzyl)-1,4-dihydropyridine monohydrate, C56H42N8O
- The crystal structure of 3-(carboxymethyl)-1-ethenyl-1H-imidazol-3-ium chloride, C7H9N2O2Cl
- The crystal structure of adamantylmethoxydiphenylsilane, C23H28OSi
- Redetermination of the crystal structure of (2E,4Z,13E,15Z)-3,5,14,16-tetramethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene, C22H24N4
- Crystal structure of (E)-7-hydroxy-2-((6-methoxypyridin-2-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one, C17H15NO3
- Crystal structure of catena-poly[diaqua-bis(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2 N:N′)cobalt(II)] dinitrate, C18H28N10O8Co