Construction of Negatively Curved Cubic Carbon Crystals via Standard Realizations
We constructed physically stable sp2 negatively curved cubic carbon structures which reticulate a Schwarz P-like surface. The method for constructing such crystal structures is based on the notion of the standard realization of abstract crystal lattices.
Naito, Hisashi
core +1 more source
Crystal structures of three 3-chloro-3-methyl-2,6-diarylpiperidin-4-ones
The syntheses and crystal structure of 3-chloro-3-methyl-r-2,c-6-diphenylpiperidin-4-one, C18H18ClNO, (I), 3-chloro-3-methyl-r-2,c-6-di-p-tolylpiperidin-4-one, C20H22ClNO, (II), and 3-chloro-3-methyl-r-2,c-6-bis(4-chlorophenyl)piperidin-4-one ...
R. Arulraj +4 more
doaj +1 more source
Three-dimensional networks containing rectangular Sr-4 and Ba-4 units : synthesis, structure, bonding, and potential application for Ne gas separation [PDF]
New porous three-dimensional metal-organic frameworks are synthesized that contain infinite chains of Srn and Ban rectangles. Their structures are elucidated by means of spectroscopic techniques such as nuclear magnetic resonance and Fourier transform ...
Anoop, Anakuthil +10 more
core +2 more sources
Crystal structures of two 2,3-diaryl-2,3-dihydro-4H-1,3-benzothiazin-4-ones
The syntheses and crystal structures of 2,3-bis[3-(trifluoromethyl)phenyl]-2,3-dihydro-4H-1,3-benzothiazin-4-one (di-m-CF3; C22H13F6NOS) (1) and 2,3-bis(4-methylphenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one (di-p-CH3; C22H19NOS) (2) are reported.
Hemant P. Yennawar +3 more
doaj +1 more source
Crystal structures of two (Z)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamides
The crystal structures of two (oxothiazolidin-2-ylidene)acetamides, namely (Z)-2-[2-(morpholin-4-yl)-2-oxoethylidene]thiazolidin-4-one, C9H12N2O3S, (I), and (Z)-N-(4-methoxyphenyl)-2-(4-oxothiazolidin-2-ylidene)acetamide, C12H12N2O3S, (II), are described
Aleksei Galushchinskiy +2 more
doaj +1 more source
Improved real-space genetic algorithm for crystal structure and polymorph prediction [PDF]
Existing genetic algorithms for crystal structure and polymorph prediction can suffer from stagnation during evolution, with a consequent loss of efficiency and accuracy.
M. I. J. Probert +2 more
core +2 more sources
Crystal structures of two (±)-exo-N-isobornylacetamides
The title compounds consist of a bornane skeleton with attached acetamide, C12H21NO (±)-(1) {systematic name: (±)-N-[(1RS,2RS,4RS)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl]acetamide}, and chloroacetamide, C12H20ClNO (±)-(2) {systematic name: (±)-2-chloro-
Dmitrijs Stepanovs +2 more
doaj +1 more source
Crystal structures of three N-(arylsulfonyl)-4-fluorobenzamides
The crystal structures of three N-arylsulfonyl-4-fluorobenzamides, namely 4-fluoro-N-(2-methylphenylsulfonyl)benzamide, C14H12FNO3S, (I), N-(2-chlorophenylsulfonyl)-4-fluorobenzamide, C13H9ClFNO3S, (II), and N-(4-chlorophenylsulfonyl)-4-fluorobenzamide ...
P. A. Suchetan +5 more
doaj +1 more source
In situ molecular organization and heterogeneity of the Legionella Dot/Icm T4SS
We present a nearly complete in situ model of the Legionella Dot/Icm type IV secretion system, revealing its central secretion channel and identifying new components. Using cryo‐electron tomography with AI‐based modeling, our work highlights the structure, variability, and mechanism of this complex nanomachine, advancing understanding of bacterial ...
Przemysław Dutka +11 more
wiley +1 more source
Crystal structures of two triazola-dioxola-benzenacyclononaphanes
In the title compounds, C25H29BrN5O7, (I) [systematic name: (Z)-15-bromo-32,32-dimethyl-21-nitro-22,23,25,26,27,27a,33a,35,36,36a-decahydro-21H,61H-4,9-dioxa-2(3,2)-pyrrolizina-6(4,1)-triazola-3(5,6)-furo[2,3-d][1,3]dioxola-1(1,2)-benzenacyclononaphane],
Vijayan Viswanathan +3 more
doaj +1 more source

