Home Crystal structure of 9-(2-chloroethoxy)-4-(4-methoxy-3-(trifluoromethyl)phenyl)- 5,6-dihydrobenzo[h]quinazolin-2-amine, C22H19ClF3N3O2
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Crystal structure of 9-(2-chloroethoxy)-4-(4-methoxy-3-(trifluoromethyl)phenyl)- 5,6-dihydrobenzo[h]quinazolin-2-amine, C22H19ClF3N3O2

  • Rong-Kai Li , Chun-Hua Wang , Gui-Ge Hou ORCID logo and Cheng-Bo Li EMAIL logo
Published/Copyright: January 30, 2023
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Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 238 Issue 2

Abstract

C22H19ClF3N3O2, triclinic, P 1 ‾ (no. 2), a = 9.8138(7) Å, b = 10.9739(7) Å, c = 11.6878(9) Å, α = 62.633(7)°, β = 67.095(7)°, γ = 68.817(6)°, V = 1003.78(14) Å3, Z = 2, R gt (F) = 0.0454, wR ref (F2) = 0.1158, T = 293 K.

CCDC no.: 2213156

The crystal structure is shown in the figure. Displacement ellipsoids are drawn at the 35% probability level. 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: Green block
Size : 0.15 × 0.14 × 0.10 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 0.24 mm−1
Diffractometer, scan mode: SuperNova
θmax, completeness: 29.5°, >99%
N(hkl)measured, N(hkl)unique, Rint: 7817, 4627, 0.022
Criterion for Iobs, N(hkl)gt: Iobs > 2 σ(Iobs), 3692
N(param)refined: 289
Programs: CrysAlisPRO [1], SHELX [2, 3]
Table 2:

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

Atom x y z Uiso*/Ueq
C1 0.8667 (2) 0.21441 (18) 1.00450 (16) 0.0185 (4)
C2 0.80976 (19) 0.26815 (18) 0.81204 (16) 0.0183 (4)
C3 0.7408 (2) 0.40652 (18) 0.80431 (16) 0.0190 (4)
C4 0.74371 (19) 0.43893 (18) 0.90630 (16) 0.0176 (3)
C5 0.6681 (2) 0.5203 (2) 0.69572 (18) 0.0261 (4)
H5A 0.635205 0.477206 0.657658 0.031*
H5B 0.742543 0.572368 0.625033 0.031*
C6 0.5331 (2) 0.62104 (19) 0.74914 (17) 0.0225 (4)
H6A 0.501114 0.701439 0.674660 0.027*
H6B 0.449382 0.574212 0.803560 0.027*
C7 0.4962 (2) 0.80384 (19) 0.83955 (17) 0.0218 (4)
H7 0.427037 0.864026 0.789789 0.026*
C8 0.5253 (2) 0.84683 (19) 0.92065 (17) 0.0225 (4)
H8 0.475132 0.934798 0.925823 0.027*
C9 0.6296 (2) 0.75805 (18) 0.99418 (16) 0.0205 (4)
C10 0.7029 (2) 0.62601 (18) 0.98889 (17) 0.0199 (4)
H10 0.772298 0.566693 1.038561 0.024*
C11 0.6715 (2) 0.58235 (18) 0.90777 (16) 0.0180 (4)
C12 0.5691 (2) 0.67143 (18) 0.83135 (16) 0.0189 (4)
C13 0.8173 (2) 0.21622 (18) 0.71182 (16) 0.0186 (4)
C14 0.8646 (2) 0.29219 (19) 0.57519 (17) 0.0205 (4)
H14 0.895340 0.374951 0.545889 0.025*
C15 0.8664 (2) 0.24580 (18) 0.48218 (17) 0.0201 (4)
C16 0.8194 (2) 0.12214 (19) 0.52508 (17) 0.0203 (4)
C17 0.7749 (2) 0.04470 (19) 0.66096 (17) 0.0220 (4)
H17 0.745148 −0.038687 0.690670 0.026*
C18 0.7749 (2) 0.09211 (19) 0.75237 (17) 0.0212 (4)
H18 0.745623 0.039117 0.843297 0.025*
C19 0.9123 (2) 0.3312 (2) 0.33596 (18) 0.0267 (4)
C20 0.7547 (2) −0.0286 (2) 0.4673 (2) 0.0316 (5)
H20A 0.811140 −0.112979 0.520732 0.047*
H20B 0.758717 −0.039677 0.389111 0.047*
H20C 0.651041 −0.010868 0.518494 0.047*
C21 0.7581 (2) 0.7215 (2) 1.14599 (19) 0.0275 (4)
H21A 0.857986 0.700062 1.087696 0.033*
H21B 0.726238 0.633818 1.205866 0.033*
C22 0.7640 (2) 0.7944 (2) 1.2256 (2) 0.0313 (5)
H22A 0.774409 0.889969 1.167444 0.038*
H22B 0.852042 0.745611 1.260622 0.038*
Cl1 0.59680 (6) 0.79796 (6) 1.36069 (5) 0.03925 (16)
F1 0.95667 (15) 0.44491 (12) 0.31196 (10) 0.0339 (3)
F2 0.79864 (16) 0.37828 (13) 0.27954 (11) 0.0389 (3)
F3 1.02787 (16) 0.25873 (13) 0.26686 (11) 0.0440 (4)
H3A 0.932 (3) 0.142 (2) 1.160 (2) 0.033 (6)*
H3B 0.985 (3) 0.039 (3) 1.101 (2) 0.039 (7)*
N1 0.80815 (17) 0.34519 (15) 1.00443 (14) 0.0192 (3)
N2 0.87066 (17) 0.17029 (15) 0.91274 (13) 0.0190 (3)
N3 0.9257 (2) 0.11606 (18) 1.10729 (16) 0.0265 (4)
O1 0.65381 (16) 0.81141 (13) 1.06887 (13) 0.0260 (3)
O2 0.81910 (16) 0.08711 (14) 0.42774 (12) 0.0281 (3)

Source of material

Referring to known methods [4, 5], 7-(2-chloroethoxy)-3,4-dihydronaphthalen-1(2H)-one, was synthesized with succinic anhydride with the aid of Friedel–Crafts reaction, hydrazine hydrate discount, and dehydration condensation. Dissolve the intermediate (0.67 g, 3.0 mmol) and 4-methoxy-3-(trifluoromethyl)benzaldehyde (0.61 g, 3.0 mmol) in 10 mL of methanol and stir in an ice-salt bathtub at 268 K, then add 5 mL of 25% NaOH solution and stir for 30 min at room temperature. After filtration, the filter residue is directly used for the next reaction. Then, the filter residue, guanidine hydrochloride (1.33 g, 14.00 mmol) and potassium hydroxide (0.79 g, 14.00 mmol) were dissolved with 15 mL of absolute ethanol and 15 mL of 1, 2-dichloroethane. The reaction was monitored by thin-layer chromatography (TLC, petroleum ether:ethyl acetate = 8:1, v/v) after refluxing for 2.5 h at 363 K. The crude product hydrochloride was filtered, concentrated under reduced pressure, and then subjected to silica gel column chromatography (dichloromethane:methanol = 20:1, v/v). Finally, the crude product hydrochloride was dissolved with 20 mL of absolute ethanol, and 5 mL of ammonia was introduced drop by drop. After stirring for 3 h, the mixture was concentrated under reduced pressure. The residue was dissolved in a solution with 30 mL of methylene chloride and 15 mL of methanol and recrystallized at room temperature to get the title compound.

Experimental details

The H atoms were placed in idealized positions and treated as riding on their parent atoms, with d(C—H) = 0.96 Å (methyl), Uiso(H) = 1.5Ueq(C), d(C—H) = 0.97 Å (methylene), Uiso(H) = 1.2Ueq(C), and d(C—H) = 0.93 Å (aromatic), Uiso(H) = 1.2Ueq(C).

Comment

Some 3,4-dihydronaphthyl 1 (2H)-ketone (DHN) derivatives with antitumor and anti-inflammatory activities have been reported [6]. In order to optimize its water solubility and toxicity, 5,6-dihydrobenzo[h]quinazolin-2-amine (BQA) derivatives were obtained by condensation of DHN with guanidine hydrochloride [7]. Some fluoro- or trifluoromethyl-substituted benzo[h] quinazoline derivatives were synthesized and they showed excellent anti-neuroinflammatory effects. Recently, we just reported a BQA derivative, 9-bromo-4-(6-methoxypyridin-2-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine [8]. Herein, the raw material 6-methoxypicolinaldehyde was replaced by 4-methoxy-3-(trifluoromethyl)benzaldehyde, while the 9-bromo substituent group is replaced by the 2-chloroethoxy group.

Single-crystal structure analysis reveals that there is one BQA molecule in the asymmetric unit (cf. Figure 1). Bond lengths and angles are all in the expected ranges [8–12]. Under the pull of the two methyl groups, –C(5)–C(6)-, the (2-chloroethoxy)phenyl ring has better coplanarity with the central pyrimidine ring, whose dihedral angle is only 17.15(3)°. Due to the space effect of the title compound, the 4-methoxy-3-(trifluoromethyl)phenyl ring is not coplanar with the central pyrimidine ring, with the dihedral angle of about 47.86(3)°. The twisted configuration is similar to that of reported BQA compound (50.83(8)°) [8]. In title compound, the 9-substituent is 2-chloroethoxy group, which torsion angle of O(1)–C(21)–C(22)–Cl(1) is 73.47(19)°. Compared with DHN derivatives [9, 10], the substituents in BQA derivatives are more comprehensive. There are –NH2, –CF3, –OMe, –Cl groups as hydrogen bond acceptor and donor, which are easy to extend through hydrogen bonding to form three-dimensional structures [12].

Corresponding author: Cheng-Bo Li, School of Pharmacy, The Key Laboratory of Prescription Effect and Clinical Evaluation of State Administration of Traditional Chinese Medicine of China, Binzhou Medical University, Yantai, 264003, P. R. China, E-mail:

Funding source: College Youth Innovation Science and Technology Support Programme of Shandong Province http://dx.doi.org/10.13039/100017445

Award Identifier / Grant number: 2020KJK003

Funding source: Key Support Projects (Inheritance and Development of Traditional Chinese Medicine) of the State Administration of Traditional Chinese Medicine http://dx.doi.org/10.13039/501100005891

Award Identifier / Grant number: 2021-242

  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 College Youth Innovation Science and Technology Support Programme of Shandong Province (No. 2020KJK003) and Key Support Projects (Inheritance and Development of Traditional Chinese Medicine) of the State Administration of Traditional Chinese Medicine (No. 2021-242).

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

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Received: 2022-12-16
Accepted: 2023-01-10
Published Online: 2023-01-30
Published in Print: 2023-04-25

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

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

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  60. Crystal structure of bis(2,5,5,7-tetramethyl-1,4-diazepane-1,4-diium) diaqua-bis(1,2-diaminopropane)copper(II) bis(μ6-oxido)tetrakis(μ3-oxido)-tetradecakis(μ2-oxido)-octaoxido-decavanadium(V) – water (1/4), C24H76CuN8V10O34
  61. Crystal structure of 1,2,3,5,13-pentamethoxy-6,7-dimethyl-1,2,3,4,4a,5,6,7,8,13b-decahydrobenzo[3′,4′]cycloocta[1′,2′:4,5]benzo[1,2-d][1,3]dioxole, C24H30O7
  62. Crystal structure of bis(6-carboxyhexyl)-4,4′-bipyridinium dibromide – 2,6-dihydroxynaphthalene (1/2), C42H46Br2N2O8
  63. Crystal structure of methyl 2-(2-chloroacetyl)-1-(4-(methoxycarbonyl)phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b] indole-3-carboxylate, C23H21ClN2O5
  64. Crystal structure of bis(dimethylammonium) poly[{μ4-1,1ʹ-(1,4-phenylenebis(methylene))bis(1H-pyrazole-3,5-dicarboxylato)-κ6N4O2}zinc(II)], C22H26N6O8Zn
  65. Crystal structure of 2-(2-(4-methoxyphenyl)-2H-indazol-3-yl)acetonitrile, C16H13N3O
  66. Crystal structure of (E)-7-methoxy-2-(4-morpholinobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C22H23NO3
  67. The crystal structure of N′1,N′2-bis((E)-3-(tert-butyl)-2-hydroxybenzylidene)oxalohydrazide, C24H30N4O4
  68. The crystal structure of trimethyl 2,2′,2′′-(benzene-1,3,5-triyltris(oxy))triacetate, C15H18O9
  69. Crystal structure of bis(N,N-dimethylformamide-κO)-bis(pyridine-2-carboxylato-κ2N,O)-bis(μ2-pyridine-2-carboxylato-κ2N,O)-dinickel(II), C30H30N6Ni2O10
  70. Crystal structure of bis(μ2-1-pyrenecarboxylato-κ3O,O′:O′)-bis(1-pyrenecarboxylato-κ2O,O′)-(benzimidazole-κ1N)dicadmium(II), C82H48Cd2N4O8
  71. One-pot synthesis and crystal structure of diethyl 2,6-dimethyl-4-(1-(2-nitrophenyl)-1H-1,2,3-triazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate, C21H23N5O6
  72. The crystal structure of 1-(2-fluorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-carbonitrile, C18H13FN2O2
  73. Crystal structure of bis(trimethylphenylammonium) aqua-oxido-octathiotritungstate, (Me3PhN)2[W3OS8(H2O)]
  74. The crystal structure of trichlorido[N-[(2-oxyphenyl)methylidene]phenylglycinemethylester-κ3O,N,O′]-tin(IV) – methylene chloride (1/1), C16H14Cl3NO3Sn·CH2Cl2
  75. The crystal structure of furan-2,5-diylbis((4-chlorophenyl)methanol), C18H14Cl2O3
  76. The crystal structure of hexalithium decavanadate hexadecahydrate, H32Li6O44V10
  77. Crystal structure of ethyl 4-{[5-(adamantan-1-yl)-2-sulfanylidene-2,3-dihydro-1,3,4-oxadiazol-3-yl]methyl}piperazine-1-carboxylate, C20H30N4O3S
  78. Crystal structure of aqua(μ2-2,2′,2″-((nitrilo)tris(ethane-2,1-diyl(nitrilo)methylylidene))tris (6-ethoxyphenolato))(pentane-2,4-dionato-κ2O,O′)-dinickel(II), C38H48N4Ni2O9
https://doi.org/10.1515/ncrs-2022-0589
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Articles in the same Issue

  1. Frontmatter
  2. New Crystal Structures
  3. The crystal structure of methyl 2-((4-chloro-2-fluoro-6-((2,2,2-trifluoroethyl) thio)phenoxy)methyl)benzoate, C17H13ClF4O3S
  4. The crystal structure of 3-hydroxy-5-oxo-4-propanoylcyclohex-3-ene-1-carboxylic monohydrate, C10H14O6
  5. Crystal structure of 2-({[5-(adamantan-2-yl)-2-sulfanylidene-1,3,4-oxadiazolidin-3-yl]methyl}amino)benzonitrile, C20H22N4OS
  6. Crystal structure of 1-(3-bromopropyl)-2-((4-chlorophenoxy)methyl)-4-methyl-1H-benzo[d]imidazole, C18H18BrClN2O
  7. Crystal structure of 2-methoxy-6-[(2-morpholin-4-yl-phenylamino)-methylene]-4-nitro-cyclohexa-2,4-dienone, C18H19N3O5
  8. The crystal structure of 2-(7-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]-pyrimidin-5-yl)-3-methoxyphenol, C20H18N4O4
  9. The crystal structure of 3-(1-(2-(4-hydroxy-3,5-dimethoxybenzylidene)hydrazinyl)ethylidene)chroman-2,4-dione dihydrate, C20H22N2O8
  10. Crystal structure of 3,5,7-trimethoxy-3′,4′-methylenedioxy-flavone, C19H16O7
  11. The crystal structure of strictic acid, C20H26O3
  12. Crystal structure of 1,1′-(pyrazine-1,4-diyl)-bis(propan-2-one), C10H14N2O2
  13. The crystal structure of 1-(adamantan-1-yl)-3-(4-chlorophenyl)urea, C17H21ClN2O
  14. The crystal structure of (2R,6′R)-2′,7-dichloro-4,6-dimethoxy-6′-methyl-3H-spiro[benzofuran-2,1′-cyclohexan]-2′-ene-3,4′-dione, C16H14Cl2O5
  15. Synthesis and crystal structure of 1-((3R,10S,13R,17S)-3-((4-methoxyphenyl)amino)-10,13-dimethylhexadecahydro-1H-cyclopenta[α]-phenanthren-17-yl)ethan-1-one, C28H41NO2
  16. Crystal structure of N-2,6-difluorobenzoyl-N′-[1-(3-chloro-4-methyl-phenyl)-4-cyano-1H-pyrazol-5-carbamoyl]urea, C19H12ClF2N5O2
  17. Crystal structure of (−)-β-D-19-glucopiranosyl-9,15-dihydroxy kaurenoate, C26H40O9
  18. Crystal structure of 7-hydroxy-6-(2-hydroxyethyl)-2H-chromen-2-one, C11H10O4
  19. Crystal structure of S-(benzo[d]thiazol-2-yl)-N-(tert-butyl)thiohydroxylamine, C11H14N2S2
  20. Crystal structure of poly[di-µ2-aqua-aqua-nitrato-κ2O,O′-(µ3-2-nitroisophthalato-κ4O,O′:O″:O′″)barium(II)natrium(II)] monohydrate, C8H11BaN2NaO13
  21. The crystal structure of diaqua-bis(pyrazolo[1,5-a]pyrimidine-3-carboxylato-κ2 N,O)-cobalt(II) dihydrate, C14H16N6O8Co
  22. Crystal structure of (S,E)-3-((pyridin-2-ylmethylene)amino)-2-(pyridin-4-yl)-2,3- dihydroquinazolin-4(1H)-one monohydrate, C19H15N5O⋅H2O
  23. Synthesis and crystal structure of 5-(8-(((5-carboxypentyl)ammonio)methyl)-7-hydroxy-4-oxo-4H-chromen-3-yl)-2-hydroxy-3-nitrobenzenesulfonate monohydrate, C22H24N2O12S
  24. Synthesis and crystal structure of 8-bromo-3-(1H-pyrazole-1-carbonyl)-2H-chromen-2-one, C13H7BrN2O3
  25. Crystal structure of E-7-fluoro-2-(4-methoxy-3-(trifluoromethyl)benzylidene)-3,4-dihydronaphthalen-1(2H)-one, C19H14F4O2
  26. Hydrogen bonded dimers in the crystal structure of 2-chloro-N-((3,5-dimethylphenyl)carbamoyl)-nicotinamide, C30H28Cl2N6O4
  27. Crystal structure of 3,3′-(1,4-phenylenebis(methylene))bis(1-allyl-1H-imidazol-3-ium) bis(hexafluoro phosphate)(V), C10H12F6N2P
  28. Crystal structure of (E)-7-bromo-2-(4-(4-methylpiperazin-1-yl)benzylidene)-3,4-dihydronaphthalen-1(2H)-one, C22H23BrN2O
  29. Crystal structure of pentacarbonyl-(μ2-ethane-1,2-dithiolato-κ4S:S,S′:S′)-(diphenyl(o-tolyl)phosphine-κ1P)diiron (Fe–Fe), C26H21Fe2O5PS2
  30. Crystal structure of 9-(2-chloroethoxy)-4-(4-methoxy-3-(trifluoromethyl)phenyl)- 5,6-dihydrobenzo[h]quinazolin-2-amine, C22H19ClF3N3O2
  31. Crystal structure of triaqua-[5-bromo-2-(carboxylatomethoxy)benzoate-κ3 O,O′,O″]nickel(II), C9H11BrNiO8
  32. The crystal structure of 4,4′-dichloro-3,5′-diphenyl-1′H-1,3′- bipyrazole, C18H12Cl2N4
  33. The crystal structure of bis(1H-pyrazole-carboxamidine-κN,N′)bis(nitrato-κO)-copper(II), C8H12CuN10O6
  34. Synthesis and crystal structure of 3-bromo-4-phenyl-2H-chromene, C15H11BrO
  35. Crystal structure of (E)-5-(diethylamino)-2-((morpholinoimino)methyl)phenol, C15H23N3O2
  36. Crystal structure of niobium trigallide, NbGa3
  37. Crystal structure of dimethyl 4,4′-(((1R, 2R)-cyclohexane-1,2-diyl)bis(azanediyl))dibenzoate, C22H26N2O4
  38. Crystal structure of dimethyl 4,4′-((4R, 5R)-4,5-diphenylimidazolidine-1,3-diyl)dibenzoate, C31H28N2O4
  39. The crystal structure of 2-(2-bromophenyl)-4-phenylbenzo[b][1,4]oxaphosphinine 4-oxide, C20H14BrO2P
  40. The crystal structure of 3-hydroxy-2-nitroestra-1,3,5(10)-trien-17-one, C18H21NO4
  41. Crystal structure of catena-poly[[μ2-1,3-bis[(1H-imidazol-1- yl)methyl]benzene-N:N′]-(μ2–D–camphorato-O, O′: O″, O‴)cadmium(II)], C48H56Cd2N8O8
  42. Crystal structure of N-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]-piperazine-1-carbothioamide, C18H17BrF3N3S
  43. The crystal structure of cis-Dicyano-bis(2,2′-bipyridine)k2N,N′-chromium(III) hexafluorophosphate, C22H16N6F6PCr
  44. Crystal structure of 4-((6-bromohexyl)oxy)-2-hydroxybenzaldehyde, C13H17BrO3
  45. Crystal structure of hydrazinium methanesulfonate, CH8N2O3S
  46. Crystal structure of 1-(2-iodobenzoyl)-6-methoxy-1H-indole-3-carbaldehyde, C17H12INO3
  47. Crystal structure of bis(acridinium) tetrabromidomanganate(II), C26H20Br4MnN2
  48. The crystal structure of 6,6′-((1E,1′E)-hydrazine-1,2-diylidenebis(methanylylidene)) bis(2-(tert-butyl)phenol), C22H28N2O2
  49. The crystal structure of the cocrystal di-μ2-chlorido-tetramethyl-tetraphenyl-di-μ3-oxido-dichloridotetratin(IV) – diphenyl-methyl-chloridotin(IV)(1/2), C54H58Cl6O2Sn6
  50. Crystal structure of (3a7R,13bR)-3-((1R)-1-hydroxy-1-(5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-3a,11,11,13b-tetramethyl-2,3,3a,4,5,11,11a,12,13,13b-decahydroindeno[5′,4′:4,5] cyclohepta[1,2-c]oxepin-9(1H)-one, C30H40O5
  51. Crystal structure of 1-(4-methoxyphenyl)-2-phenoxyethan-1-one, C15H14O3
  52. Crystal structure of trans-tetrakis(3-phenylpyridine-κN)bis(thiocyanato-κN)nickel(II), C46H36N6NiS2
  53. Crystal structure of sodium catena-poly[bis(thiourea-κ1S)-tetrakis(μ2-thiourea-κ2S,S)tricopper(I)] difumarate, C14H29Cu3N12NaO8S6
  54. Crystal structure of bis(benzylamine-κ1N)-bis((E)-2-methyl-3-phenylacrylato-κ1O)copper(II), C34H36CuN2O4
  55. The crystal structure of 3,4-dihydroxybenzoic acid – 3-[7-{[2-(3,4-difluorophenyl)cyclopropyl]amino}-5-(propylsulfanyl)-3H-[1,2,3] triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol – water (1/1/1), C30H36F2N6O9S
  56. Crystal structure of catena-poly[dipyridine-bis(pyridine-2-carboxylato-κ 2 N,O)-bis(μ 2-pyridine-2-carboxylato-κ 2 N,O)-dinickel(II)], C34H26N6Ni2O8
  57. The crystal structure of 1-((1-methyl-1H-1,2,4-triazol-3-yl) methyl)-3-(2,4,5-trifluorobenzyl)-1,3,5-triazinane-2,4,6-trione, C14H11F3N6O3
  58. Crystal structure of (E)-2-((Z)-2-((1S,4R)-3,3-dimethylbicyclo[2.2.1] heptan-2-ylidene)ethylidene)hydrazine-1-carbothioamide, C24H38N6S2
  59. Crystal structure of photochromic 3-(5-(2,5-dimethylthiophen-3-yl)-2,2,3,3,4,4-hexafluorocyclopentyl)-2-methylbenzo[b]-thiophene, C20H14F6S2
  60. Crystal structure of bis(2,5,5,7-tetramethyl-1,4-diazepane-1,4-diium) diaqua-bis(1,2-diaminopropane)copper(II) bis(μ6-oxido)tetrakis(μ3-oxido)-tetradecakis(μ2-oxido)-octaoxido-decavanadium(V) – water (1/4), C24H76CuN8V10O34
  61. Crystal structure of 1,2,3,5,13-pentamethoxy-6,7-dimethyl-1,2,3,4,4a,5,6,7,8,13b-decahydrobenzo[3′,4′]cycloocta[1′,2′:4,5]benzo[1,2-d][1,3]dioxole, C24H30O7
  62. Crystal structure of bis(6-carboxyhexyl)-4,4′-bipyridinium dibromide – 2,6-dihydroxynaphthalene (1/2), C42H46Br2N2O8
  63. Crystal structure of methyl 2-(2-chloroacetyl)-1-(4-(methoxycarbonyl)phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b] indole-3-carboxylate, C23H21ClN2O5
  64. Crystal structure of bis(dimethylammonium) poly[{μ4-1,1ʹ-(1,4-phenylenebis(methylene))bis(1H-pyrazole-3,5-dicarboxylato)-κ6N4O2}zinc(II)], C22H26N6O8Zn
  65. Crystal structure of 2-(2-(4-methoxyphenyl)-2H-indazol-3-yl)acetonitrile, C16H13N3O
  66. Crystal structure of (E)-7-methoxy-2-(4-morpholinobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C22H23NO3
  67. The crystal structure of N′1,N′2-bis((E)-3-(tert-butyl)-2-hydroxybenzylidene)oxalohydrazide, C24H30N4O4
  68. The crystal structure of trimethyl 2,2′,2′′-(benzene-1,3,5-triyltris(oxy))triacetate, C15H18O9
  69. Crystal structure of bis(N,N-dimethylformamide-κO)-bis(pyridine-2-carboxylato-κ2N,O)-bis(μ2-pyridine-2-carboxylato-κ2N,O)-dinickel(II), C30H30N6Ni2O10
  70. Crystal structure of bis(μ2-1-pyrenecarboxylato-κ3O,O′:O′)-bis(1-pyrenecarboxylato-κ2O,O′)-(benzimidazole-κ1N)dicadmium(II), C82H48Cd2N4O8
  71. One-pot synthesis and crystal structure of diethyl 2,6-dimethyl-4-(1-(2-nitrophenyl)-1H-1,2,3-triazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate, C21H23N5O6
  72. The crystal structure of 1-(2-fluorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-carbonitrile, C18H13FN2O2
  73. Crystal structure of bis(trimethylphenylammonium) aqua-oxido-octathiotritungstate, (Me3PhN)2[W3OS8(H2O)]
  74. The crystal structure of trichlorido[N-[(2-oxyphenyl)methylidene]phenylglycinemethylester-κ3O,N,O′]-tin(IV) – methylene chloride (1/1), C16H14Cl3NO3Sn·CH2Cl2
  75. The crystal structure of furan-2,5-diylbis((4-chlorophenyl)methanol), C18H14Cl2O3
  76. The crystal structure of hexalithium decavanadate hexadecahydrate, H32Li6O44V10
  77. Crystal structure of ethyl 4-{[5-(adamantan-1-yl)-2-sulfanylidene-2,3-dihydro-1,3,4-oxadiazol-3-yl]methyl}piperazine-1-carboxylate, C20H30N4O3S
  78. Crystal structure of aqua(μ2-2,2′,2″-((nitrilo)tris(ethane-2,1-diyl(nitrilo)methylylidene))tris (6-ethoxyphenolato))(pentane-2,4-dionato-κ2O,O′)-dinickel(II), C38H48N4Ni2O9
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