Liquid crystalline macrocycles containing phenylpyrimidine unitsElectronic supplementary information (ESI) available: the procedures and analytical data for all compounds and a table with selected bond distances and bond angles of the crystal structure of compound C are available as supplementary data. See http://www.rsc.org/suppdata/jm/b2/b210271d/

2003 ◽  
Vol 13 (4) ◽  
pp. 778-784 ◽  
Author(s):  
Bernhard Neumann ◽  
Torsten Hegmann ◽  
Christoph Wagner ◽  
Peter R. Ashton ◽  
Raik Wolf ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Liquid Crystalline ◽  
Analytical Data ◽  
Supplementary Information ◽  
Supplementary Data ◽  
Bond Angles ◽  
Compound C

scholarly journals Crystal structure of 5-(4-tert-butoxyphenyl)-3-(4-n-octyloxyphenyl)-4,5-dihydroisoxazole

2019 ◽  
Vol 75 (6) ◽  
pp. 896-899
Author(s):  
Eric S. Sales ◽  
Adailton J. Bortoluzzi ◽  
Aloir A. Merlo
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Liquid Crystalline ◽  
Dipolar Cycloaddition ◽  
Dihedral Angles ◽  
Crystalline Materials ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean ◽  
Liquid Crystalline Materials

The molecule of the title compound, C27H37NO3, was prepared by [3 + 2] 1,3-dipolar cycloaddition of 4-n-octylphenylnitrile oxide and 4-tert-butoxystyrene, the latter compound being a very useful intermediate to the synthesis of liquid-crystalline materials. In the molecule, the benzene rings of the n-octyloxyphenyl and tert-butoxyphenyl groups form dihedral angles of 2.83 (7) and 85.49 (3)°, respectively, with the mean plane of the isoxazoline ring. In the crystal, molecules are linked by weak C—H...O hydrogen interactions into chains running parallel to the b axis.

Crystal structure of camphor-1,4-homoenol p-bromobenzoate

1980 ◽  
Vol 58 (24) ◽  
pp. 2805-2807 ◽  
Author(s):  
Richard A. Pauptit ◽  
James Trotter
Keyword(s):  
Crystal Structure ◽  
Absolute Configuration ◽  
Title Compound ◽  
Membered Ring ◽  
Fourier Methods ◽  
Bond Angles ◽  
Compound C ◽  
The Absolute ◽  
Considerable Strain

Crystals of the title compound, C17H19BrO2, are orthorhombic, P212121, a = 6.875(1), b = 8.522(2), c = 26.658(6) Å, Z = 4. The structure was determined by Patterson and Fourier methods, and refined to R = 0.045 for 697 reflections with I ≥ 3σ(I); the absolute configuration was established. The four-membered ring is tightly folded, and bond angles in the vicinity of this ring indicate considerable strain.

scholarly journals Crystal structure ofN′-[(E)-(1S,3R)-(3-isopropyl-1-methyl-2-oxocyclopentyl)methylidene]-4-methylbenzenesulfonohydrazide

2015 ◽  
Vol 71 (12) ◽  
pp. o904-o905 ◽  
Author(s):  
David Tymann ◽  
Dina Christina Dragon ◽  
Christopher Golz ◽  
Hans Preut ◽  
Carsten Strohmann ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Title Compound ◽  
Membered Ring ◽  
Dihedral Angles ◽  
Relative Configuration ◽  
Bond Angles ◽  
Compound C ◽  
A Chain

The title compound, C17H24N2O3S, was synthesized in order to determine the relative configuration of the corresponding β-keto aldehyde. In the U-shaped molecule, the five-membered ring approximates an envelope, with the methylene C atom adjacent to the quaternary C atom being the flap, and the methyl and isopropyl substituents lying to the same side of the ring. The dihedral angles between the four nearly coplanar atoms of the five-membered ring and the flap and the aromatic ring are 35.74 (15) and 55.72 (9)°, respectively. The bond angles around the S atom are in the range from 103.26 (12) to 120.65 (14)°. In the crystal, molecules are linkedviaN—H...O hydrogen bonds, forming a chain along theaaxis.

scholarly journals Crystal structure of 22,24,25-trimethyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.02,7.015,20]pentacosa-2,4,6,15(20),16,18-hexaen-23-one

2017 ◽  
Vol 73 (2) ◽  
pp. 118-121 ◽  
Author(s):  
Van Tuyen Nguyen ◽  
Hong Hieu Truong ◽  
Tuan Anh Le ◽  
Anatoly T. Soldatenkov ◽  
Tuyet Anh Dang Thi ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Nitrogen Atom ◽  
Dihedral Angle ◽  
Title Compound ◽  
Mirror Symmetry ◽  
Bond Angles ◽  
Pyramidal Geometry ◽  
Compound C ◽  
Benzene Rings

The title compound, C24H29NO4, is the product of a Petrenko–Kritchenko condensation of 1,5-bis(2-formylphenoxy)-3-oxapentane, pentan-3-one and methylammonium acetate in ethanol. The molecule has mirror symmetry. The aza-14-crown-3 ether ring adopts abowlconformation stabilized by a weak intramolecular C—H...O hydrogen bond. The conformation of the C—O—C—C—O—C—C—O—C polyether chain is t–g+–t–t–g−–t (t =trans, 180°; g =gauche, ±60°). The dihedral angle between the benzene rings fused to the aza-14-crown-4-ether moiety is 72.68 (4)°. The piperidinone ring adopts achairconformation. The nitrogen atom has a trigonal–pyramidal geometry, the sum of the bond angles being 335.9°. In the crystal, the molecules are linked by weak C—H...O interactions, forming zigzag chains propagating along the [100] direction.

Metallomethane, VI [1]. Kristallstruktur von Tetrakis(chloroquecksilber)methan-Dimethylsulfoxid C(HgCl)4 · (CH3)2SO / Metallomethanes, VI [1]. Crystal Structure of Tetrakis(chloromercuri)methane-Dimethylsulfoxide C(HgCl)4 · (CH3)2SO

1983 ◽  
Vol 38 (3) ◽  
pp. 357-364 ◽  
Author(s):  
Dietrich K. Breitinger ◽  
Günter Petrikowski ◽  
Günter Liehr ◽  
Raymond Sendelbeck
Keyword(s):  
Crystal Structure ◽  
Coordination Number ◽  
Van Der Waals ◽  
Pair Formation ◽  
Adjacent Layer ◽  
Space Group ◽  
Bond Angles ◽  
Bond Lengths ◽  
Compound C ◽  
Packing Coefficient

The tetrakis (halomercuri) methane dimethylsulfoxide solvates C(HgX)4 · DMSO (X = Cl and Br) have been prepared. - The crystal structure of the chloro compound C(HgCl)4 · DMSO has been determined (R = 0.0611 and Rw = 0.0562). The compound crystallizes in space-group P21/n with a = 1854(1) pm, b = 727.3(5) pm, c = 1049.1(6) pm, β = 94.82(3)°, Z = 4; dc = 4.873 g·cm-3, d0 = 4.51 g-cm-3. - The C(HgCl)4 molecules have C-Hg bond lengths in the range 201.4(26) to 209.9(27) pm (average 207.0 pm), and Hg-Cl bonds between 231.4(9) and 234.2(9) pm (average 233.2 pm). The bond angles Hg-C-Hg vary from 107.3(3) to 111.7(4)° (average 109.5°), and the angles C-Hg-Cl are found within the limits 172.2(24) and 178.3(25)° (mean 174.3°). DMSO molecules (S-O bond 148.6(23)pm) are coordinated via oxygen to two Hg atoms of one C(HgCl)4 molecule and to one Hg atom of a neighbouring C(HgCl)4 molecule forming two bifurcated bridges in a dimer [C(HgCl)4 · DMSO]2; two strong Cl→···Hg and two weak S→···Hg interactions also contribute to this pair formation. The dimeric units are arranged to layers in the planes (100) and (200), such that each C(HgCl)4 molecule has six C(HgCl)4 and two DMSO molecules as neighbours; with two C(HgCl)4 molecules from each adjacent layer, each C(HgCl)4 molecule achieves a total coordination number of ten. Depending on the van der Waals radius assumed for mercury a packing coefficient 0.640 ≤ k ≤ 0.691 is obtained. - Cryoscopy and vibrational spectrometry suggest monomeric, unperturbed tetrahedral C(HgX)4 molecules in DMSO solutions.

Crystal structure and mesogenic behaviour of a new fluorene derivative: 9,9-dimethyl-2,7-bis(4-pentylphenyl)-9H-fluorene

2019 ◽  
Vol 75 (11) ◽  
pp. 1459-1464
Author(s):  
Sakuntala Gupta ◽  
Tanmay Choudhury ◽  
Ewelina Dmochowska ◽  
Przemyslaw Kula ◽  
Fabio Borbone ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Liquid Crystalline ◽  
Molecular Packing ◽  
Crystal Phase ◽  
Compound C ◽  
Independent Unit ◽  
Fluorene Derivative

The title compound, C37H42, is a new mesogenic compound containing the fluorene moiety. It exhibits enantiotropic nematic liquid crystalline behaviour with melting at 125 °C and isotropization at 175 °C. The crystallographically independent unit contains two molecules oriented face-to-edge with respect to each other. The two molecules have nearly the same conformation of the bis-phenyl fluorene moiety. The molecular packing in the crystal phase is nematic-like.

Crystal structure of 12H+-2,4-benzo-1,5-dioxa-8,12,16-triaza-cyclooctadec-2-ene-7,17-dione picrate

2002 ◽  
Vol 217 (1) ◽  
Author(s):  
G. Hundal ◽  
S. Kumar ◽  
M. S. Hundal ◽  
H. Singh
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Compound C

AbstractThe title compound [C

scholarly journals ccNetViz: a WebGL-based JavaScript library for visualization of large networks

2020 ◽  
Vol 36 (16) ◽  
pp. 4527-4529
Author(s):  
Ales Saska ◽  
David Tichy ◽  
Robert Moore ◽  
Achilles Rasquinha ◽  
Caner Akdas ◽  
...  
Keyword(s):  
Systems Biology ◽  
Complex Networks ◽  
Open Source ◽  
High Speed ◽  
A Priori ◽  
Supplementary Information ◽  
Network Visualization ◽  
Supplementary Data ◽  
Web Based ◽  
Flow Of Information

Abstract Summary Visualizing a network provides a concise and practical understanding of the information it represents. Open-source web-based libraries help accelerate the creation of biologically based networks and their use. ccNetViz is an open-source, high speed and lightweight JavaScript library for visualization of large and complex networks. It implements customization and analytical features for easy network interpretation. These features include edge and node animations, which illustrate the flow of information through a network as well as node statistics. Properties can be defined a priori or dynamically imported from models and simulations. ccNetViz is thus a network visualization library particularly suited for systems biology. Availability and implementation The ccNetViz library, demos and documentation are freely available at http://helikarlab.github.io/ccNetViz/. Supplementary information Supplementary data are available at Bioinformatics online.

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