Abstract
C17H16O2, monoclinic, P21/c (no. 14), a = 11.6963(12) Å, b = 11.1187(8) Å, c = 11.6902(10) Å, β = 115.545(7)°, V = 1371.7(2) Å3, Z = 4, Rgt(F) = 0.0350, wRref(F2) = 0.0865, T = 293 K.

The asymmetric unit of 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.
Data collection and handling.
| Crystal: | Colourless prism |
| Size: | 0.36 × 0.27 × 0.12 mm |
| Wavelength: | Mo Kα radiation (0.71073 Å) |
| μ: | 0.8 cm−1 |
| Diffractometer, scan mode: | STOE IPDS 2, ω scans |
| 2θmax, completeness: | 52°, 98.8% |
| N(hkl)measured, N(hkl)unique, Rint: | 7194, 2661, 0.037 |
| Criterion for Iobs, N(hkl)gt: | Iobs > 2 σ(Iobs), 1375 |
| N(param)refined: | 236 |
| Programs: | Stoe programs [1], SHELX [2, 3] , ORTEP [4] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
| Atom | x | y | z | Uiso*/Ueq |
|---|---|---|---|---|
| C1 | 0.36180(15) | 0.32004(16) | 0.61559(16) | 0.0787(4) |
| C2 | 0.43587(15) | 0.27272(15) | 0.73366(16) | 0.0788(4) |
| C3 | 0.41923(13) | 0.15512(14) | 0.75852(14) | 0.0729(4) |
| C4 | 0.32929(16) | 0.08557(15) | 0.66461(16) | 0.0814(5) |
| C5 | 0.25615(15) | 0.13408(14) | 0.54835(16) | 0.0749(4) |
| C6 | 0.27015(13) | 0.25269(13) | 0.52017(13) | 0.0660(4) |
| C7 | 0.19122(15) | 0.30866(15) | 0.39781(15) | 0.0740(4) |
| C8 | 0.10143(15) | 0.25798(15) | 0.29722(15) | 0.0734(4) |
| C9 | 0.02624(13) | 0.32677(13) | 0.18103(13) | 0.0704(4) |
| C10 | −0.05096(13) | 0.26101(12) | 0.06163(13) | 0.0662(4) |
| C11 | −0.10413(15) | 0.32522(16) | −0.05156(16) | 0.0763(4) |
| C12 | −0.17460(16) | 0.26820(16) | −0.16466(16) | 0.0798(5) |
| C13 | −0.19631(13) | 0.14563(15) | −0.17099(14) | 0.0730(4) |
| C14 | −0.14285(15) | 0.08265(16) | −0.05865(16) | 0.0779(4) |
| C15 | −0.07184(14) | 0.13783(13) | 0.05549(17) | 0.0746(4) |
| C16 | −0.2733(2) | 0.0836(2) | −0.2941(2) | 0.0986(6) |
| C17 | 0.5723(2) | 0.1671(2) | 0.9754(2) | 0.0991(6) |
| O1 | 0.48553(10) | 0.09799(10) | 0.87164(10) | 0.0952(4) |
| O2 | 0.02810(11) | 0.43693(9) | 0.18209(9) | 0.0926(4) |
| H1 | 0.3737(14) | 0.4032(15) | 0.5996(13) | 0.093(5)* |
| H2 | 0.4969(14) | 0.3226(13) | 0.7989(14) | 0.091(5)* |
| H4 | 0.3196(15) | 0.0037(15) | 0.6841(14) | 0.104(5)* |
| H5 | 0.1935(13) | 0.0848(12) | 0.4841(13) | 0.081(4)* |
| H7 | 0.2070(13) | 0.3943(13) | 0.3907(12) | 0.085(4)* |
| H8 | 0.0821(13) | 0.1756(14) | 0.2962(12) | 0.082(4)* |
| H11 | −0.0863(14) | 0.4102(15) | −0.0479(14) | 0.097(5)* |
| H12 | −0.2063(13) | 0.3136(13) | −0.2413(14) | 0.085(5)* |
| H14 | −0.1552(13) | −0.0036(14) | −0.0611(13) | 0.092(5)* |
| H15 | −0.0377(13) | 0.0903(13) | 0.1305(13) | 0.081(4)* |
| H17A | 0.6045(19) | 0.1107(18) | 1.048(2) | 0.143(8)* |
| H17B | 0.6404(18) | 0.2026(17) | 0.9546(16) | 0.129(7)* |
| H17C | 0.5260(16) | 0.2375(17) | 0.9895(14) | 0.113(6)* |
| H18A | −0.362(2) | 0.100(2) | −0.325(2) | 0.173(10)* |
| H18B | −0.267(2) | −0.001(2) | −0.290(2) | 0.159(9)* |
| H18C | −0.251(2) | 0.1087(19) | −0.361(2) | 0.159(9)* |
Source of material
Equimolar quanities of p-methylacetophenone (0.01 mol) and p-methoxybenzaldehyde (0.01 mol) were dissolved in ethanol (10 mL) under stirring and aq. NaOH (30%) was added dropwise. The reaction mixture was stirred at room temperature for a few hours. The reaction mixture was diluted with water & acidifed with HCl. The separated solid was filtered and recrystallised from ethanol [5].
IR (ATR) cm−1: 2932 (aromatic—CH), 2837 (aliphatic—CH), 1651 (C = O), 1593–1416 (C = C); 1H-NMR (δ): 8.00–6.94 (−CH), 2.41 (−CH3), 3.91 (−OCH3); 13C-NMR (δ): 21.54 (−CH3), 55.51 (−OCH3), 188 (C = O), 163 (HC = CH), 144–120 (aromatic—CH3), 113.81–113.75 (aliphatic—CH). Anal. Calcd. for C17H16O2: C, 80.95; H, 6.34; Found: C, 80.63; H, 6.07.
Experimental details
The structure was solved by direct methods and refined by full-matrix least-square techniques. All the H atoms in the molecular structure were found and located in difference Fourier map and refined freely. H bond lengths vary between 0.952(14) Å and 0.969(15) Å for aromatic rings.
Comment
Chalcones consist of two aromatic rings which are linked by three carbon atoms with a α,β-unsaturated carbonyl system. Chalcones and their derivatives are interesting materials for their biological activities such as anti-viral, anti-malarial, anti-cancer, antioxidant, anti-inflammatory, antifungal, antileishmanial, anti-tubercular, anti-hyperglycemic properties [6], [7], [8], [9], [10], [11]. They are also used in different applications such as agriculture [12], cosmetics and manufacture of pesticides [13].
The title compund, C17H16O2, shows E conformation with respect to the C = C double bond (C7 = C8 = 1.318(2) Å). In the molecular structure, the methoxy substituted phenyl ring and the methyl substituted phenyl ring are inclined by 13.78(6)°. The maximum deviations within the ring systems are 0.0052(2) Å for C4 atom of the C1—C6 ring and 0.0033(2) Å for atom C12 of the C10—C15 ring. The attached methyl group is co-planar with the related aromatic ring system (C10—C15). The methoxy group is slightly twisted with the C4—C3—O1—C17 and C2—C3—O1—C17 torsion angles of −174.97(16)° and 5.0(2)°, respectively. In the molecular structure, the bond lengths and angles are consistent with the related structures [14, 15] . The crystal structure presents at least one very weak intermolecular hydrogen bond, namely C11—H11⋯O2′ (with symmetry code: −x, −y + 1, −z).
Acknowledgement
The related single crystal X-Ray data was collected in Faculty of Arts and Sciences, Ondokuz Mayıs University, Turkey, by using Stoe IPDS II diffractometer and deposited with the CCDC number of 1515321.
References
1 Stoe&Cie. X-AREA (Version 1.18) and X-RED32 (Version1.04). Stoe&Cie, Darmstadt, Germany, 2002.Suche in Google Scholar
2 Sheldrick, G. M.: A short history of SHELX. Acta Crystallogr. A64 (2008) 112–122.10.1107/S0108767307043930Suche in Google Scholar PubMed
3 Sheldrick, G. M.: Crystal structure refinement with SHELXL. Acta Crystallogr. C71 (2015) 3–8.10.1107/S2053229614024218Suche in Google Scholar PubMed PubMed Central
4 Farrugia, L. J.: WinGX and ORTEP for Windows: an update. J. Appl. Cryst. 45 (2012) 849–854.10.1107/S0021889812029111Suche in Google Scholar
5 Jadhav, S. A.; Kulkarni, K. M.; Patil, P. B.; Dhole, V. R.; Patil, S. S.: Design, synthesis and biological evaluation of some novel pyrazoline derivatives. Der Pharma Chemica 8 (2016) 38–45.Suche in Google Scholar
6 Arias-Ruiz, S. N.; Romero, N.; Lobato-García, C. E.; Gómez-Rivera, A.; Mendoza, A.: Second monoclinic form of (E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one. Acta Crystallogr. E69 (2013) o1694–o1695.10.1107/S1600536813028079Suche in Google Scholar PubMed PubMed Central
7 Dimmock, J. R.; Elias, D. W.; Beazely, M. A.; Kandepu, N. M.: Bioactivities of chalcones. Curr. Med. Chem. 6 (1999) 1125–1149.10.2174/0929867306666220401182509Suche in Google Scholar
8 Nowakowska, Z.: A review of anti-infective and anti-inflammatory chalcones. Eur. J. Med. Chem. 42 (2007) 125–137.10.1016/j.ejmech.2006.09.019Suche in Google Scholar PubMed
9 Zhang, X.-W.; Zhao, D.-H.; Quan, Y.-C.; Sun, L.-P.; Yin, X.-M.; Guan, L.-P.: Synthesis and evaluation of antiinflammatory activity of substituted chalcone derivatives. Med. Chem. Res. 19 (2010) 403–412.10.1007/s00044-009-9202-zSuche in Google Scholar
10 Kouskoura, M.; Hadjipavlou-Litina, D.; Giakoumakou, M.: Synthesis and anti-inflammatory activity of chalcones and related mannich bases. Med.Chem. 4 (2008) 586–596.10.2174/157340608786242070Suche in Google Scholar PubMed
11 Doan, T. N.; Tran, D. T.: Synthesis, antioxidant and antimicrobial activities of a novel series of chalcones, pyrazolic chalcones, and allylic chalcones. Pharmacol. Pharmacy 2 (2011) 282–288.10.4236/pp.2011.24036Suche in Google Scholar
12 Pasquale, G.; Romanelli, G. P.; Autino, J. C.; García, J.; Ortiz, E. V.; Duchowicz, P. R.; Agric, J.: Quantitative structure-activity relationships of mosquito larvicidal chalcone derivatives. J. Agric. Food Chem. 60 (2012) 692–697.10.1021/jf203374rSuche in Google Scholar PubMed
13 Bhavana, P.; Sarveswari, S.; Weng Ng, S.; Tiekink, E. R. T.: Efficient ultrasound-assisted synthesis, spectroscopic, crystallographic and biological investigations of pyrazole-appended quinolinyl chalcones. J. Mol. Struct. 1081 (2015) 201–210.10.1016/j.molstruc.2014.10.026Suche in Google Scholar
14 Ahn, S.; Lee, H. J.; Lim, Y.; Koh, D.: (E)-1-(3,5-Dimethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one. Acta Crystallogr. E69 (2013) o666–o666.10.1107/S1600536813008982Suche in Google Scholar PubMed PubMed Central
15 Ezhilarasi, K. S.; Jonathan, D. R.; Sathya, S.; Prathebha, K.; Usha, G.: (2E)-1-(3,5-Dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one. Acta Crystallogr. E70 (2014) o608–o609.10.1107/S1600536814009155Suche in Google Scholar PubMed PubMed Central
©2017 Yavuz Köysal et al., published by De Gruyter.
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.
Artikel in diesem Heft
- Cover and Frontmatter
- Crystal structure of poly[diaqua-(μ2-4,4′-bipyridine-κ2N:N′)manganese(II)] bis(4-chlorobenzenesulfonate) – 4,4′-bipyridine – water (1/1/2) C42H40Cl2MnN6O10S2
- The crystal structure of 1,2-bis[2-methyl-5-(3-cyanophenyl)-3-thienyl]-3,3,4,4,5,5-hexafluoro-cyclopent-1-ene, C29H16F6N2S2
- Crystal structure of the first characterized polymeric copper and sodium complex diaqua-(tris-acetato-κO,O′)(μ2-acetato-κO′′)dinatrium copper(II) monohydrate, C8H18CuNa2O11
- The crystal structure of the Schiff base (E)-2,6-diisopropyl-N-(pyridin-3-yl-methylene)aniline, C18H22N2
- Crystal structure of methyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylate, C20H22N2O5
- Crystal structure of bis(1,3-bis(diphenylphosphino)propane-κ2P,P′)silver(I) trifluorosulfonate–methanol (1:0.5), [Ag(C27H26P2)]SO3CF3⋅0.5CH3OH
- Crystal structure of μ-1,4-bis(diphenylphosphine)butane-2,9-dimethyl-1,10-phenanthroline-κ2N:N′-bis(cyano-κC)dicopper(I)]-water, C58H56Cu2N6O2P2
- Crystal structure of N2,N6-bis(1-hydrazinyl-2-methyl-1-oxopropan-2-yl) pyridine-2,6-dicarboxamide, C15H23N7O4
- Crystal structure of 1,3-dimethyl-2-phenyl-1H-perimidin-3-ium iodide, C19H17IN2
- Crystal structure of diaqua-(2,2′-(butane-1,4-diyl)-bis(5-carboxy-1H-imidazole-4-carboxylato)-κ4O,O′,N,N′)cadmium(II) monohydrate, C14H18O11N4Cd
- Crystal structure of ethyl (E)-3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl) acrylate, C15H14Cl2FNO3
- Crystal structure of bis-(1-(4-chlorophenyl)-3-phenyl-4-thenoyl-1H-pyrazol-5-ol-κ2O,O′)-(N,N-dimethylformamide)zinc(II), C43H31Cl2N5O5S2Zn
- Crystal structure of tetrakis(μ3-2-(N-(2-hydroxyethyl)amino)ethoxo)-tetrachloro-tetra-cobalt(II) methanol solvate, C17H44Cl4Co4N4O9
- Crystal structure of 3-amino-1-(4-bromophenyl)-9-methoxy-1H-benzo[f]chromene-2-carbonitrile, C21H15BrN2O2
- Crystal structure of 2-amino-4-(4-isopropyl-phenyl)-3-cyano-5-oxo-4H,5H-pyrano[3,2-c]chromene, C22H18N2O3
- Crystal structure of 3-amino-8-methoxy-1-(4-methoxy phenyl)-1H-benzo[f]chromene-2-carbonitrile, C22H18N2O3
- Crystal structure of monoaqua-[6,6′-((1E,1′E)-(1,2-phenylene bis(azanylylidene))bis(methanylylidene))bis(4-bromo-2-nitrophenolato-κ4N,N′,O,O′)]zinc(II), C20H12Br2N4O7Zn
- Crystal structure of 11-(4-(dimethylamino)phenyl)-17-hydroxy-13-methyl-17-(prop-1-yn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one – acetonitril (1/2), C33H41N3O2
- Crystal structure of tert-butyl (phenylsulfinyl)carbamate, C11H15NO3S
- Crystal structure of catena-poly{diaqua-bis(3-(1H-1,2,4-triazol-1-yl)benzoato-κ2O:N)copper(II)} monohydrate, C18H18CuN6O7
- Crystal structure of tetraaqua-bis(3-(4H-1,2,4-triazol-4-yl)benzoato-κN)cobalt(II), C18H20CoN6O8
- The crystal structure of 4-bromo-N-cyclopropyl-2,5-difluorobenzenesulfonamide, C9H8BrF2NO2S
- Crystal structure of ([3,3′-bipyridine]-6,6′-dicarboxylato-κ2O:O′)-bis(1,2-bis(4-pyridyl)ethane-κ2N:N′)disilver(I) dihydrate, C37H35Ag2N5O6
- The crystal structure of (4-(1H-1,2,4-triazol-1-yl)benzoato-κN)-[4-(1H-1,2,4-triazol-1-yl)benzoic acid-κN]silver(I), C18H13AgN6O4
- Crystal structure of 3-(4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one, C17H16O2
- Crystal structure of bis(2-((E)-((4-((E)-1-(ethoxyimino)ethyl)phenyl)imino)methyl)-5-methoxyphenolato-κ2O,N)copper(II), C36H38CuN4O6
- Crystal structure of poly[1,2-bis(1,2,4-triazol-4-yl)ethane-κ2N:N′]silver(I) bromate monohydrate]silver(I), C6H10AgBrN6O4
- The crystal structure of 2,3,5-triphenyl-2,3-dihydro-1H-tetrazol-1-ium 2,3-dioxoindoline-5-sulfonate, C27H19N5O5S
- Crystal structure of 3-(2-amino-1,3-selenazol-4-yl)-2H-chromen-2-one – dimethylformamide (1/1), C15H15N3O3Se
- Crystal structure of diethyl 3,3′-(diazene-1,2-diyl)(E)-dibenzoate, C18H18N2O4
- Crystal structure of cis-bis((1H-benzimidazol-2-yl)methanol-κN,O)-bis(isothiocyanato-κN)nickel(II), C18H16N6NiO2S2
- Crystal structure of bis(2-(2′-hydroxy-5′-methoxyphenyl)-1H-benzimidazole)boron – tetrahydrofuran (1/1), C36H37N4O6B
- Crystal structure of poly[aqua-bis(nitrato-κ2O,O′)-(μ3-1,3-benzimidazol-3-ium-1,3-diacetato-κ4O,O′:O′′:O′′′)dysprosium(III)], C11H11DyN4O11
- Crystal structure of n-butyl-tris(dicyclo-hexylamido)hafnium(IV), C40H75HfN3
- Crystal structure of (E)-1-[1-(3-chloro-4-fluoro-phenyl)ethylidene]-2-(2,4-dinitrophenyl)hydrazine, C28H20Cl2F2N8O8
- The crystal structure of ethyl 4-((2-hydroxybenzyl)amino)benzoate, a Schiff base, C16H17NO3
- Crystal structure of 3-(2-(4-isobutylphenyl)propanoyl)-1-methylimidazolidine-2,4-dione, C17H22N2O3
- Crystal structure of poly[(μ3-2-(pyrazin-2-ylthio)acetato-κ3N:O:S)silver(I)], C6H5AgN2O2S
- Crystal structure of (E)-1-(3-((E)-((2-hydroxynaphthalen-1-yl)methylene)amino)phenyl)ethanone O-benzyl oxime, C26H22N2O2
- Crystal structure of (E)-2,3-dihydroxybenzaldehyde O-(2-((((E)-1-(2,5-dihydroxyphenyl)ethylidene)amino)oxy)ethyl) oxime monohydrate, C17H20N2O7
- Crystal structure of 4-(chloromethyl)-3-nitrobenzoic acid, C8H6ClNO4
- Crystal stucture of 4-((10H-phenothiazin-10-yl)methyl)-2,6-di-tert-butylphenol, C27H31NOS
- The crystal structure of ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate, C13H10F3N3O4
- Crystal structure of catena-poly[di-(μ3-oxido-κ3O:O:O)-tetraoxido-(μ2-5′-(pyrazin-2-yl)-1H,2′H-3,3′-bi(1,2,4-triazole)-κ2N:N′)dimolybdenum(VI)], C8H6Mo2N8O6
- Crystal structure of (3,6-dioxocyclohexa-1,4-diene-1,4-bis(olato)-κ4O,O′:O′′,O′′′)-bis(tris(2-pyridylmethyl)amine-κ4N,N′,N′′,N′′′))-dizinc(II) bis(hexafluorophosphate(V)), C42H38F12N8O4P2Zn2
- Crystal structure of catena-poly[hexakis(μ2-2-acetylphenolato-κ3O:O,O′)trimanganese(II)], C48H42Mn3O12
- The crystal structure of 2,2-difluoro-4-(trifluoromethyl)-2,5-dihydro-[1,3,2]dioxaborinino[5,4-c]chromen-3-ium-2-uide, C11H6BF5O3
- Crystal structure of methyl (E)-2-(4-(diethylamino)-2-hydroxybenzylidene)hydrazine-1-carboxylate, C13H19N3O3
- The crystal structure of tert-butyl 2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate, C10H15N3O2
- Crystal structure of 1,1-bis(η5-adamantylcyclopentadienyl)-3-phenyl-2-trimethylsilyl-2,3-dihydroisotitanazole, C42H55NSiTi
- Crystal structure of 2-(4-(2-(4-benzylpiperazin-1-yl)ethyl)benzyl)isoindoline-1,3-dione, C28H29N3O2
- Important impurity of Flupirtine – a single crystal study on ethyl (6-amino-5-((ethoxycarbonyl)amino)pyridin-2-yl)(4-fluorobenzyl)carbamate, C18H21FN4O4
- Crystal structure of ethyl 3-(4-methoxyphenyl)-1-(2-(4-methoxyphenyl)-2-oxoethyl)-1H-pyrazole-5-carboxylate, C22H22N2O5
- Crystal structure of 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate methanol solvate, C37H35N1O10
- The crystal structure of the inner salt of 2-[(aminoiminomethyl)amino]ethylcarbamic acid [systematic name: (2-((diaminomethylene)ammonio)ethyl)carbamate], C4H10N4O2
- Crystal structure of (8-hydroxy-5-nitroquinolinium) perchlorate – 8-hydroxy-5-nitroquinoline (1/1), C18H13ClN4O10
- The crystal structure of (5-methyl-1,2,4-oxadiazol-3-yl)ferrocene, C13H12FeN2O
- Crystal structure of methyl 1-(2-(fluorosulfonyl)ethyl)-2-oxocyclopentanecarboxylate, C9H13FO5S
- Crystal structure of the triclinic modification of 1-methyl-4-nitroimidzole, C4H5N3O2
- Corrigendum
- Crystal structure of 4-bromo-2-(1H-pyrazol-3-yl)phenol, C9H7BrN2O
Artikel in diesem Heft
- Cover and Frontmatter
- Crystal structure of poly[diaqua-(μ2-4,4′-bipyridine-κ2N:N′)manganese(II)] bis(4-chlorobenzenesulfonate) – 4,4′-bipyridine – water (1/1/2) C42H40Cl2MnN6O10S2
- The crystal structure of 1,2-bis[2-methyl-5-(3-cyanophenyl)-3-thienyl]-3,3,4,4,5,5-hexafluoro-cyclopent-1-ene, C29H16F6N2S2
- Crystal structure of the first characterized polymeric copper and sodium complex diaqua-(tris-acetato-κO,O′)(μ2-acetato-κO′′)dinatrium copper(II) monohydrate, C8H18CuNa2O11
- The crystal structure of the Schiff base (E)-2,6-diisopropyl-N-(pyridin-3-yl-methylene)aniline, C18H22N2
- Crystal structure of methyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylate, C20H22N2O5
- Crystal structure of bis(1,3-bis(diphenylphosphino)propane-κ2P,P′)silver(I) trifluorosulfonate–methanol (1:0.5), [Ag(C27H26P2)]SO3CF3⋅0.5CH3OH
- Crystal structure of μ-1,4-bis(diphenylphosphine)butane-2,9-dimethyl-1,10-phenanthroline-κ2N:N′-bis(cyano-κC)dicopper(I)]-water, C58H56Cu2N6O2P2
- Crystal structure of N2,N6-bis(1-hydrazinyl-2-methyl-1-oxopropan-2-yl) pyridine-2,6-dicarboxamide, C15H23N7O4
- Crystal structure of 1,3-dimethyl-2-phenyl-1H-perimidin-3-ium iodide, C19H17IN2
- Crystal structure of diaqua-(2,2′-(butane-1,4-diyl)-bis(5-carboxy-1H-imidazole-4-carboxylato)-κ4O,O′,N,N′)cadmium(II) monohydrate, C14H18O11N4Cd
- Crystal structure of ethyl (E)-3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl) acrylate, C15H14Cl2FNO3
- Crystal structure of bis-(1-(4-chlorophenyl)-3-phenyl-4-thenoyl-1H-pyrazol-5-ol-κ2O,O′)-(N,N-dimethylformamide)zinc(II), C43H31Cl2N5O5S2Zn
- Crystal structure of tetrakis(μ3-2-(N-(2-hydroxyethyl)amino)ethoxo)-tetrachloro-tetra-cobalt(II) methanol solvate, C17H44Cl4Co4N4O9
- Crystal structure of 3-amino-1-(4-bromophenyl)-9-methoxy-1H-benzo[f]chromene-2-carbonitrile, C21H15BrN2O2
- Crystal structure of 2-amino-4-(4-isopropyl-phenyl)-3-cyano-5-oxo-4H,5H-pyrano[3,2-c]chromene, C22H18N2O3
- Crystal structure of 3-amino-8-methoxy-1-(4-methoxy phenyl)-1H-benzo[f]chromene-2-carbonitrile, C22H18N2O3
- Crystal structure of monoaqua-[6,6′-((1E,1′E)-(1,2-phenylene bis(azanylylidene))bis(methanylylidene))bis(4-bromo-2-nitrophenolato-κ4N,N′,O,O′)]zinc(II), C20H12Br2N4O7Zn
- Crystal structure of 11-(4-(dimethylamino)phenyl)-17-hydroxy-13-methyl-17-(prop-1-yn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one – acetonitril (1/2), C33H41N3O2
- Crystal structure of tert-butyl (phenylsulfinyl)carbamate, C11H15NO3S
- Crystal structure of catena-poly{diaqua-bis(3-(1H-1,2,4-triazol-1-yl)benzoato-κ2O:N)copper(II)} monohydrate, C18H18CuN6O7
- Crystal structure of tetraaqua-bis(3-(4H-1,2,4-triazol-4-yl)benzoato-κN)cobalt(II), C18H20CoN6O8
- The crystal structure of 4-bromo-N-cyclopropyl-2,5-difluorobenzenesulfonamide, C9H8BrF2NO2S
- Crystal structure of ([3,3′-bipyridine]-6,6′-dicarboxylato-κ2O:O′)-bis(1,2-bis(4-pyridyl)ethane-κ2N:N′)disilver(I) dihydrate, C37H35Ag2N5O6
- The crystal structure of (4-(1H-1,2,4-triazol-1-yl)benzoato-κN)-[4-(1H-1,2,4-triazol-1-yl)benzoic acid-κN]silver(I), C18H13AgN6O4
- Crystal structure of 3-(4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one, C17H16O2
- Crystal structure of bis(2-((E)-((4-((E)-1-(ethoxyimino)ethyl)phenyl)imino)methyl)-5-methoxyphenolato-κ2O,N)copper(II), C36H38CuN4O6
- Crystal structure of poly[1,2-bis(1,2,4-triazol-4-yl)ethane-κ2N:N′]silver(I) bromate monohydrate]silver(I), C6H10AgBrN6O4
- The crystal structure of 2,3,5-triphenyl-2,3-dihydro-1H-tetrazol-1-ium 2,3-dioxoindoline-5-sulfonate, C27H19N5O5S
- Crystal structure of 3-(2-amino-1,3-selenazol-4-yl)-2H-chromen-2-one – dimethylformamide (1/1), C15H15N3O3Se
- Crystal structure of diethyl 3,3′-(diazene-1,2-diyl)(E)-dibenzoate, C18H18N2O4
- Crystal structure of cis-bis((1H-benzimidazol-2-yl)methanol-κN,O)-bis(isothiocyanato-κN)nickel(II), C18H16N6NiO2S2
- Crystal structure of bis(2-(2′-hydroxy-5′-methoxyphenyl)-1H-benzimidazole)boron – tetrahydrofuran (1/1), C36H37N4O6B
- Crystal structure of poly[aqua-bis(nitrato-κ2O,O′)-(μ3-1,3-benzimidazol-3-ium-1,3-diacetato-κ4O,O′:O′′:O′′′)dysprosium(III)], C11H11DyN4O11
- Crystal structure of n-butyl-tris(dicyclo-hexylamido)hafnium(IV), C40H75HfN3
- Crystal structure of (E)-1-[1-(3-chloro-4-fluoro-phenyl)ethylidene]-2-(2,4-dinitrophenyl)hydrazine, C28H20Cl2F2N8O8
- The crystal structure of ethyl 4-((2-hydroxybenzyl)amino)benzoate, a Schiff base, C16H17NO3
- Crystal structure of 3-(2-(4-isobutylphenyl)propanoyl)-1-methylimidazolidine-2,4-dione, C17H22N2O3
- Crystal structure of poly[(μ3-2-(pyrazin-2-ylthio)acetato-κ3N:O:S)silver(I)], C6H5AgN2O2S
- Crystal structure of (E)-1-(3-((E)-((2-hydroxynaphthalen-1-yl)methylene)amino)phenyl)ethanone O-benzyl oxime, C26H22N2O2
- Crystal structure of (E)-2,3-dihydroxybenzaldehyde O-(2-((((E)-1-(2,5-dihydroxyphenyl)ethylidene)amino)oxy)ethyl) oxime monohydrate, C17H20N2O7
- Crystal structure of 4-(chloromethyl)-3-nitrobenzoic acid, C8H6ClNO4
- Crystal stucture of 4-((10H-phenothiazin-10-yl)methyl)-2,6-di-tert-butylphenol, C27H31NOS
- The crystal structure of ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate, C13H10F3N3O4
- Crystal structure of catena-poly[di-(μ3-oxido-κ3O:O:O)-tetraoxido-(μ2-5′-(pyrazin-2-yl)-1H,2′H-3,3′-bi(1,2,4-triazole)-κ2N:N′)dimolybdenum(VI)], C8H6Mo2N8O6
- Crystal structure of (3,6-dioxocyclohexa-1,4-diene-1,4-bis(olato)-κ4O,O′:O′′,O′′′)-bis(tris(2-pyridylmethyl)amine-κ4N,N′,N′′,N′′′))-dizinc(II) bis(hexafluorophosphate(V)), C42H38F12N8O4P2Zn2
- Crystal structure of catena-poly[hexakis(μ2-2-acetylphenolato-κ3O:O,O′)trimanganese(II)], C48H42Mn3O12
- The crystal structure of 2,2-difluoro-4-(trifluoromethyl)-2,5-dihydro-[1,3,2]dioxaborinino[5,4-c]chromen-3-ium-2-uide, C11H6BF5O3
- Crystal structure of methyl (E)-2-(4-(diethylamino)-2-hydroxybenzylidene)hydrazine-1-carboxylate, C13H19N3O3
- The crystal structure of tert-butyl 2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate, C10H15N3O2
- Crystal structure of 1,1-bis(η5-adamantylcyclopentadienyl)-3-phenyl-2-trimethylsilyl-2,3-dihydroisotitanazole, C42H55NSiTi
- Crystal structure of 2-(4-(2-(4-benzylpiperazin-1-yl)ethyl)benzyl)isoindoline-1,3-dione, C28H29N3O2
- Important impurity of Flupirtine – a single crystal study on ethyl (6-amino-5-((ethoxycarbonyl)amino)pyridin-2-yl)(4-fluorobenzyl)carbamate, C18H21FN4O4
- Crystal structure of ethyl 3-(4-methoxyphenyl)-1-(2-(4-methoxyphenyl)-2-oxoethyl)-1H-pyrazole-5-carboxylate, C22H22N2O5
- Crystal structure of 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate methanol solvate, C37H35N1O10
- The crystal structure of the inner salt of 2-[(aminoiminomethyl)amino]ethylcarbamic acid [systematic name: (2-((diaminomethylene)ammonio)ethyl)carbamate], C4H10N4O2
- Crystal structure of (8-hydroxy-5-nitroquinolinium) perchlorate – 8-hydroxy-5-nitroquinoline (1/1), C18H13ClN4O10
- The crystal structure of (5-methyl-1,2,4-oxadiazol-3-yl)ferrocene, C13H12FeN2O
- Crystal structure of methyl 1-(2-(fluorosulfonyl)ethyl)-2-oxocyclopentanecarboxylate, C9H13FO5S
- Crystal structure of the triclinic modification of 1-methyl-4-nitroimidzole, C4H5N3O2
- Corrigendum
- Crystal structure of 4-bromo-2-(1H-pyrazol-3-yl)phenol, C9H7BrN2O