Marcel Mirel Popa

2-Iodopyridin-3-yl acetate

Mihaela Cristea, Sergiu Shova, Marcel Mirel Popa, Florea Dumitraşcu

The title compound 2-iodopyridin-3-yl acetate was obtained by acetylation of the OH group of 2-iodo-3-hydroxypyridine. Knowing that the hydroxyl group, as a strong H-bond donor in halogenated hydroxypyridines, usually directs supramolecular packing and might enforce possible halogen–halogen contacts, we crystallized 2-iodo-3-acetoxypyridine with …

ro, ua (code pays fourni par la source)

X-ray diffraction in the elucidation of complex reaction outcomes of neocuproine and dialkyl acetylenedicarboxylic acid esters

Florea Dumitraşcu, Mino R. Caira, М. Gdaniec, Mihaela Cristea et autres

ro, Afrique du Sud, pl, ua (code pays fourni par la source)

Crystal structure and Hirshfeld surface analysis of (Z)-4-((5-isopropyl-3,8-dimethylazulen-1-yl)methylene)-2-phenyloxazol-5(4H)-one

Mihai Răducă, Marcel Mirel Popa, Mihaela Cristea, Alexandru C. Razus et autres

The structure of the title compound, i.e., (Z)-4-((5-isopropyl-3,8-dimethylazulen-1-yl)methylene)-2-phenyloxazol-5(4H)-one (1) has been solved by single-crystal X-ray diffraction. Compound 1 was obtained in good yield (66%) following the Erlenmeyer—Plöchl synthesis, by the condensation of 5-isopropyl-3,8-dimethylazulene-1-carbaldehyde (a) with hippuric acid (b). The packing diagram of …

ro (code pays fourni par la source)

(Z)-4-(Azulen-1-ylmethylene)-2-phenyloxazol-5(4H)-one

Mihaela Cristea, Alexandru C. Razus, Sergiu Shova, Marcel Mirel Popa et autres

The title compound, i.e., (Z)-4-(azulen-1-ylmethylene)-2-phenyloxazol-5(4H)-one (3), has previously been synthesized in a good yield (56%) using the Erlenmeyer–Plöchl procedure. The crystal structure of 3 is described herein along with the results of a Hirshfeld surface analysis. Crystals of compound 3 were obtained …

ro (code pays fourni par la source)

The Role of Hydrogen Bond Interactions in Crystal Formation of Pyrrolo-Azines Alcohols

Marcel Mirel Popa, Mihai Răducă, Isabela Costinela Man, Florea Dumitraşcu

New secondary alcohols of type Ar-CHOH-hetaryl and MeCHOH-hetaryl, the radical hetaryl being a pyrroloazine, were investigated in solid state by X-ray single-crystal diffraction analysis, Hirshfeld analysis and DFT methods to assess their crystallographic features. One of the most important features is the …

ro (code pays fourni par la source)

H/F replacement in secondary alcohols of sydnones as examples of isostructural OH⋯OC hydrogen bonded dimer structures

Florea Dumitraşcu, Marcel Mirel Popa, Sergiu Shova, Isabela Costinela Man et autres

Hydrogenation of two 4-acetylsydnones led to an isostructural pair of hydrogen bonded O–H⋯OC dimers strengthening the sydnone–sydnone supramolecular synthon formed by two antiparallel sydnone rings.

ro, ua, Afrique du Sud (code pays fourni par la source)

Halogen bonding in 5-chloropyrazoles: Two new examples and a descriptive CSD investigation

Marcel Mirel Popa, Sergiu Shova, Isabela Costinela Man, Florea Dumitraşcu

ro, ua (code pays fourni par la source)

Synthesis, X-ray Diffraction and Computational Druglikeness Evaluation of New Pyrrolo[1,2-a][1,10]Phenanthrolines Bearing a 9-Cyano Group

Mihaela Cristea, Marcel Mirel Popa, Sergiu Shova, М. Gdaniec et autres

New 9-cyano-pyrrolo[1,2-a][1,10]phenanthrolines 5a–d, obtained by a 1,3-dipolar cycloaddition reaction between the corresponding N-ylides of 1,10-phenanthrolinium bromides 2a–d, generated in situ and acrylonitrile as a dipolarophile, were investigated by single-crystal X-ray diffraction and computational studies to assess their druglikeness and evaluate their structure-activity …

ro, pl (code pays fourni par la source)

Halogen Bonding in 5-Chloropyrazoles: Two New Examples and a Descriptive Csd Investigation

Marcel Mirel Popa, Sergiu Shova, Isabela Costinela Man, Florea Dumitraşcu

The role of halogen bonding in the interaction landscape directing the crystal packing in a homologous series of halogenated coumarin derivatives

Marcel Mirel Popa, Dan George Dumitrescu, Sergiu Shova, Isabela Costinela Man et autres

ro, it, fr (code pays fourni par la source)

Synthesis and spectroscopic properties of novel indolizines and azaindolizines

Alina Florica Nicolescu, Anton Airinei, Emilian I. Georgescu, Florentina Georgescu et autres

Novel indolizines and pyrrolo[1,2-c]pyrimidines bearing a 3-carbonylchromen-2-one moiety on the pyrrole rings were synthesized and spectroscopic properties of some of synthesized compounds were investigated. Synthetic procedures started from 4-substituted pyrimidines, 3-(2-bromoacetyl)-2H-chromen-2-one and electron-deficient alkynes via 3+2 dipolar cycloaddition of cycloimmonium-ylides, generated in …

cz, ua, ro, gb, br, us, ru (code pays fourni par la source)

CCDC 2156677: Experimental Crystal Structure Determination

Marcel Mirel Popa, Sergiu Shova, Mihaela Dascălu, Mino R. Caira et autres

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, …