Volume 56; Issue 7

Journal of Structural Chemistry

Volume 56; Issue 7

1

Crystal structure, DFT study, and Hirshfeld surface analysis of ethyl 5-(3,4-dimethoxyphenyl)-7-methyl-3-phenyl-5H-thiazolo[ 3,2-A]pyrimidine-6-carboxylate

Shelke, A., Karade, N. N., Dutta, P. Kr., Bahekar, S. P., Chandak, H. S.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 1.16 MB

english, 2015

2

Molecular structure investigation of Z-3N(2-ethoxyphenyl)-2-N′(2-ethoxyphenyl)-imino-thiazolidin-4-one byab initio, DFT and X-ray diffraction methods

Boulakoud, M., Toubal, K., Yahiaoui, S., Chouaih, A., Chita, G., Djafri, A., Hamzaoui, F.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 428 KB

english, 2015

3

X-ray crystallographic study of 2-morpholino-5-trifluoromethyl-1,3,4-thiadiazole

Slepukhin, P. A., Bazhenova, L. N., Letova, E. B., Filyakova, V. I.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 208 KB

english, 2015

4

Tautomerization of pyrido[2′,1′:2,3]imidazo[4,5-B]quinoline-12-ylcyanide: A DFT study

Beyramabadi, S. A., Morsali, A., Pordel, M., Chegini, H., Khashi, M., Ahmadi, I., Poorzaki, M.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 1.78 MB

english, 2015

5

Structure of ethyl E-6-bromo-4-[1-(methoxycarbonyl)cyclobutyl]-2-oxochromene-3-carboxylate

Kirillov, N. F., Nikiforova, E. A., Dmitriev, M. V.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 268 KB

english, 2015

6

Crystal structure oftrans-[ReO2(3,5-lut)4]I3

Ermolaev, A. V., Shestopalov, M. A., Kuratieva, N. V., Mironov, Yu. V.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 179 KB

english, 2015

7

Characterization and crystal structures of new Schiff base macrocyclic compounds

Khalaji, A. D., Hafez Ghoran, S., Pojarová, M., Dušek, M.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 228 KB

english, 2015

8

Gas phase conformational behavior of selenomethionine: A computational elucidation

Mandal, S., Das, G.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 708 KB

english, 2015

9

Molecular and crystal structures of two 1,2,4-benzothiadiazine derivatives

Kumar, P. P. S., Suchetan, P. A., Sreenivasa, S., Naveen, S., Lokanath, N. K., Kumar, D. B. A.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 1.09 MB

english, 2015

10

Theoretical studies on the structural properties of 2,3-bis(furan-2-yl)pyrazino-[2,3-f][1,10]phenanthroline

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 294 KB

english, 2015

11

Theoretical studies on the structural, spectroscopic, thermodynamic, and electronic properties of zoledronic acid

Liu, Q. Z., Wang, Y., Qiu, L., Wang, T. F., Luo, S. N., Yuan, H. L., Lin, J. G.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 2.28 MB

english, 2015

12

Structural characterisation and photoluminescence of a pyridine–diimine compound

Köse, M., Ceyhan, G., Güngör, S. A., Purtaş, S., McKee, V.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 483 KB

english, 2015

13

Structure determination and tautomeric transition of 3-amino-1{[bis(benzylsulfanyl)methylidene]amino}urea

How, F. N.-F., Jamaluddin, N., Abdul Halim, S. N., Lee, V. S.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 508 KB

english, 2015

14

Structure–reactivity relationship in bimolecular elimination reactions based on the condensed graph of a reaction

Madzhidov, T. I., Bodrov, A. V., Gimadiev, T. R., Nugmanov, R. I., Antipin, I. S., Varnek, A. A.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 604 KB

english, 2015

15

1,7-difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane: Crystal structure and sensitivity to mechanical actions

Aliev, Z. G., Korepin, A. G., Goncharov, T. K., Garanin, V. A., Aldoshin, S. M.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 288 KB

english, 2015

16

Structural characterization and nonlinear optical properties of 1-phenyl-3-(4-bis(2-chloroethyl)aminophenyl)-2-propen-1-one

Sankaraperumal, Anitha, Shetty, A. N., Karthikeyan, J.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 430 KB

english, 2015

17

Conformational and configurational diversity of solvent inclusion complexes of some calix[4]pyrroles and their anion recognition properties

Sharma, A., Obrai, S., Kumar, R., Kaur, A., Hundal, M. S.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 604 KB

english, 2015

18

Host–guest association of Morin with β-CD and C-hexylpyrogallol[4]arene: Structure of the complexes and the effect of pH

Chandrasekaran, S., Muthu, I. V., Enoch, V.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 627 KB

english, 2015

19

Crystal structures of novel bis-NO-acyclic Schiff base compounds

Khalaji, A. D., Fejfarova, K., Dušek, M.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 265 KB

english, 2015

20

Design of a new dihedral-angle-controlled molecular scissors: A DFT investigation

Samadizadeh, M., Gorgani, S. S.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 487 KB

english, 2015

21

QSAR study of peptide drugs by 3D-HoVAIF

Tong, J., Chang, J., Li, L., Bai, M.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 417 KB

english, 2015

22

Molecular structure and conformational preference of 2-methyl-5-nitro-5-bromo-1,3,2-dioxaborinane and its complex with pyridine

Khaibullina, G. S., Kuznetsov, V. V., Meshcheriakova, E. S., Tyumkina, T. V., Khalilov, L. M.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 414 KB

english, 2015

23

Theoretical study of the mechanism generating azomethine ylide from formaldehyde and glycine

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 613 KB

english, 2015

24

Spectroscopic characterization, X-ray structure and DFT studies on 4-[3-(2,5-dimethylphenyl)-3-methylcyclobutyl]-N-methylthiazol-2-amine

Saraçoğlu, H., Ekici, Ö.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 704 KB

english, 2015

25

Characterization and crystal structures of 5-bromo-2-methoxy-4-(p-tolyliminomethyl)phenol and 2-bromo-6-[(6-methylpyridin-2-ylimino)methyl]phenol

Dong, Y. -L., Li, C., Meng, X. -F., Zhou, X., Ma, J. -J.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 351 KB

english, 2015

26

Density functional theory study of the rotational barriers, conformational preference, and vibrational spectra of 2-formylfuran and 3-formylfuran

Umar, Y., Tijani, J.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 389 KB

english, 2015

27

An unusual conformational change in the folded trimethylene/leonard linker pyrazolo[3,4-d]pyrimidine analogue of the theophylline compound due to structural changes

Avasthi, K., Kant, Ruchir, Aswal, S., Tewari, A. K., Yadav, U., Misra, U. D., Maulik, P. R.

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 307 KB

english, 2015

28

Structural and electronic properties of heptachlor

Y. Gülseven Sıdır,İ. Sıdır,F. Demiray

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 2.43 MB

english, 2015

29

Quantum dynamical study of heavy-light-heavy reactions: application to the (Cl + CH4→ HCl + CH3) reaction

A. H. Moussa,M. Shalaby,H. Talaat,S. El-Wallid Sedik…

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 812 KB

english, 2015

30

Assignment of the absolute configuration of fischerin by computed nmr chemical shifts

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 387 KB

english, 2015

31

Structures and antimicrobial activity of fluoro- and hydroxy-substituted thiocarboxyhydrazones

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 236 KB

english, 2015

32

Crystal structures of dual dopamine D2and serotonin 5-HT1Aactive arylpiperidinyl-2(1H)-3,4-dihydroquinolinones

N. Ullah,M. Altaf,M. Mansha,A. O. Ba-Salem

Journal:

Journal of Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 349 KB

english, 2015