Results 31 to 40 of about 4,478,609 (243)

View of the Hirshfeld surface shape index and curvedness for Anth-1 and Anth-2.

, 2021
View of the Hirshfeld surface shape index and curvedness for Anth-1 and Anth-2.
Hazri Bakhtiar (9601194), Suhana Arshad (683751), Ibrahim Abdul Razak (9601191), Muhamad Fikri Zaini (9601188), Dian Alwani Zainuri (4386850), Mundzir Abdullah (11495414)   +5 more
core   +1 more source

Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes – Hirshfeld surface analysis and melting point correlation [PDF]

, 2012
The crystal structures of an array of 2-R,4-oxo-[1,3-b]-naphthodioxanes (R = H, Me, Et, i-Pr, n-Bu, CCl3, i-propylideneglyceral) have been determined at 100 K, together with a more limited series of the isomeric 2-R,4-oxo-[1,3-a]-naphthodioxanes (R = Et,
Spackman, Mark A., White, Allan H., Dean, Pamela M., Skelton, Brian W., Allan H. White, Pamela M. Dean, Brian W. Skelton, Simon Grabowsky, Mark A. Spackman, Grabowsky, Simon, Alexandre N. Sobolev, Sobolev, Alexandre N.   +11 more
core   +1 more source

4-[(Benzylamino)carbonyl]-1-methylpyridinium bromide hemihydrate: X-ray diffraction study and Hirshfeld surface analysis

Acta Crystallographica Section E: Crystallographic Communications, 2022
The hemihydrate of 4-[(benzylamino)carbonyl]-1-methylpyridinium bromide, C14H15N2O+·Br−·0.5H2O, was studied by single-crystal and powder X-ray diffraction methods.
Vitalii V. Rudiuk, Anna M. Shaposhnik, Vyacheslav M. Baumer, Igor A. Levandovskiy, Svitlana V. Shishkina   +4 more
doaj   +1 more source

Surface roughness prediction in milling based on tool displacements [PDF]

, 2011
In this paper, an experimental device using non-contact displacement sensors for the investigation of milling tool behaviour is presented. It enables the recording of high frequency tool vibrations during milling operations.
MOREAU, Vincent, Jean Philippe Costes, Vincent Moreau, COSTES, Jean-Philippe   +3 more
core   +1 more source

PI Data: Multispectral and Thermal Surface Imagery and Surface Elevation Mosaics (CAMSPEC-AIR)

, 2023
This data set contains high-resolution image products (orthomosaics) acquired from midsized uncrewed aerial systems that have been processed for value-added quality.
Kristian Nelson, Jerry Tagestad, Lexie Goldberger, Ilan Gonzalez-Hirshfeld   +3 more
core   +1 more source

Crystal structure, DFT study and Hirshfeld surface analysis of ethyl 6-chloro-2-ethoxyquinoline-4-carboxylate

Acta Crystallographica Section E: Crystallographic Communications, 2019
In the title quinoline derivative, C14H14ClNO3, there is an intramolecular C—H...O hydrogen bond forming an S(6) graph-set motif. The molecule is essentially planar with the mean plane of the ethyl acetate group making a dihedral angle of 5.02 (3)° with ...
Younos Bouzian, Khalid Karrouchi, El Hassane Anouar, Rachid Bouhfid, Suhana Arshad, El Mokhtar Essassi   +5 more
doaj   +1 more source

Crystal Structure, Hirshfeld Surface Analysis and Computational Studies of Two Benzo [b][1, 4] Diazepine Derivatives

, 2023
The DFT computational studies, crystal structures and Hirshfeld surface analysis of (E)-4-(2-chlorostyryl)-2,2-dimethyl-2,3-dihydro-1H-benzo[b][1,4]diazepine (1) and (E)-4-(2-(2,2-dimethyl-2,3-dihydro-1H-benzo[b][1,4]diazepin-4-yl)vinyl)phenol (2) have ...
Madanhire, T, Lobb, Kevin A, Odame, Felix, Hosten, Eric C   +3 more
core   +1 more source

(3aS,4R,5R,6S,7aR)-4,5-Dibromo-2-[4-(trifluoromethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-3a,6-epoxy-1H-isoindol-1-one: crystal structure and Hirshfeld surface analysis

Acta Crystallographica Section E: Crystallographic Communications, 2021
The asymmetric unit of the title compound, C15H12Br2F3NO2, consists of two crystallographically independent molecules. In both molecules, the pyrrolidine and tetrahydrofuran rings adopt an envelope conformation.
Dmitriy F. Mertsalov, Kseniia A. Alekseeva, Magrycheva S. Daria, Maxim E. Cheshigin, Sevim Türktekin Çelikesir, Mehmet Akkurt, Mikhail S. Grigoriev, Sixberth Mlowe   +7 more
doaj   +1 more source

Favipiravir: insight into the crystal structure, Hirshfeld surface analysis and computational study [PDF]

Journal of the Iranian Chemical Society, 2021
In this work we report structural and computational studies of favipiravir, which is now used as a drug for COVID-19 treatment. The molecule is completely flat and stabilized by an intramolecular O–H···O hydrogen bond, yielding a six-membered pseudo-aromatic ring.
Maria G. Babashkina, Antonio Frontera, Alexander V. Kertman, Yasemin Saygideger, Swaminathan Murugavel, Damir A. Safin   +5 more
openaire   +2 more sources

5,5-Dichloro-6-hydroxydihydropyrimidine-2,4(1H,3H)-dione: molecular and crystal structure, Hirshfeld surface analysis and the new route for synthesis with Mg(ReO4)2 as a new catalyst

Acta Crystallographica Section E: Crystallographic Communications, 2020
The molecular and crystal structures of the title compound, C4H4Cl2N2O3, were investigated by single-crystal X-ray diffraction and a Hirshfeld surface analysis.
Anton P. Novikov, Sergey N. Ryagin, Mikhail S. Grigoriev, Alexey V. Safonov, Konstantin E. German   +4 more
doaj   +1 more source