scholarly journals Crystal structure of 1-[3,5-bis(trifluoromethyl)phenyl]-2-bromoethan-1-one

2018 ◽  
Vol 74 (6) ◽  
pp. 868-870
Author(s):  
Sandeep Chandrashekharappa ◽  
Keshab M. Bairagi ◽  
Mahendra K. Mohan ◽  
Viresh Mohanlall ◽  
Kabange Kasumbwe ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Acidic Medium ◽  
Unit Cell ◽  
Formula Unit ◽  
Asymmetric Unit ◽  
Reduced Pressure ◽  
Axis Direction ◽  
Compound C

The title compound, C10H5BrF6O, synthesized via continuous stirring of 3,5-bis(trifluoromethyl) acetophenone with bromine in an acidic medium and concentrated under reduced pressure, crystallizes with four molecules in the unit cell (Z = 4) and one formula unit in the asymmetric unit. In the crystal, molecules are linked in a head-to-tail fashion into dimers along the b-axis direction through weak C—H...Br and C—O...Csp 2 interactions. C—H...O, C—F...π and F...F interactions are also observed.

scholarly journals Crystal structure of tetraethyl 27,30-dioxo-7,12,20,25-tetra-tert-butyl-3,16-dioxa-9,22,28,31-tetrathiaheptacyclo[21.3.1.11,5.14,8.110,14.114,18.117,21]dotriaconta-4,6,8(29),10,12,17,19,21(32),23,25-decaene-2,2,15,15-tetracarboxylate

2015 ◽  
Vol 71 (10) ◽  
pp. o778-o779
Author(s):  
Mehmet Akkurt ◽  
Jerry P. Jasinski ◽  
Shaaban K. Mohamed ◽  
Omran A. Omran ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Tert Butyl ◽  
Envelope Conformation ◽  
Compound C ◽  
A Chain

The asymmetric unit of the title compound, C54H64O12S4, consists of one half of the molecule, which is located on an inversion centre. The heterocyclic six-membered ring adopts a distorted envelope conformation with the spiro C atom as the flap. In the crystal, molecules are linked by weak C—H...O hydrogen bonds with anR22(14) motif, forming a chain along theb-axis direction.

scholarly journals Crystal structure of 1-cyclopropanecarbonyl-3-methyl-2,6-di-p-tolylpiperidin-4-one

2014 ◽  
Vol 70 (9) ◽  
pp. o1056-o1057
Author(s):  
A. Kamaraj ◽  
S. Ranjith ◽  
R. Rajkumar ◽  
G. Mohanraj ◽  
K. Krishnasamy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Piperidine Ring ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules

The title compound, C24H27NO2, crystallizes with two independent molecules (AandB) in the asymmetric unit. The two molecules have very similar conformations and each exhibits an intramolecular C—H...π interaction. The central piperidine rings adopt boat conformations and thep-tolyl rings are inclined to the mean plane of the piperidine ring by 71.21 (11) and 89.86 (12)° in moleculeAand by 68.01 (12) and 89.33 (12)° in moleculeB. The cyclopropanecarbonyl group is oriented at an angle of 68.5 (2)° with respect to the mean plane of the piperidine ring in moleculeAand 66.2 (2)° in moleculeB. In the crystal, theAandBmolecules are linked by C—H...O hydrogen bonds, enclosingR21(6) ring motifs, forming ribbons running along thea-axis direction.

scholarly journals Crystal structure ofN-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(thiophen-3-yl)acetamide

2017 ◽  
Vol 73 (6) ◽  
pp. 901-904 ◽  
Author(s):  
Trung Vu Quoc ◽  
Linh Nguyen Ngoc ◽  
Cong Nguyen Tien ◽  
Chien Thang Pham ◽  
Luc Van Meervelt
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Orientational Disorder ◽  
Axis Direction ◽  
Compound C ◽  
Ring Structures ◽  
Graph Set

The title compound, C9H8N2O2S3, crystallizes with two molecules (AandB) in the asymmetric unit. Both have similar conformations (overlay r.m.s. deviation = 0.209 Å) and are linked by an N—H...O hydrogen bond. In both molecules, the thiophene rings show orientational disorder, with occupancy factors of 0.6727 (17) and 0.3273 (17) for moleculeA, and 0.7916 (19) and 0.2084 (19) for moleculeB. The five-membered rings make an angle of 79.7 (2)° in moleculeAand an angle of 66.8 (2)° in moleculeB. In the crystal, chains of molecules running along thea-axis direction are linked by N—H...O hydrogen bonds. The interaction of adjacent chains through N—H...O hydrogen bonds leads to two types of ring structures containing four molecules and described by the graph-set motifsR44(18) andR42(14).

scholarly journals Crystal structure of (E)-N1-[(anthracen-9-yl)methylidene]-N4-phenylbenzene-1,4-diamine

2017 ◽  
Vol 73 (2) ◽  
pp. 137-140
Author(s):  
Md. Serajul Haque Faizi ◽  
Ashanul Haque ◽  
Musheer Ahmad ◽  
Irina A. Golenya
Keyword(s):  
Crystal Structure ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Condensation Reaction ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules

The title compound, C27H20N2, a Schiff base synthesizedviaa condensation reaction between anthracene-9-carbaldehyde andN-phenyl-p-phenylenediamine, crystallizes with three independent molecules in the asymmetric unit. The three molecules have slightly varying overall conformations, all havingtransconformations with respect to the C=N bond. In the crystal, the packing features N—H...N hydrogen bonds, which connect molecules into chains extending along thec-axis direction, interlinked by C—H...π interactions (minimum H...Cg= 2.65 Å) into sheets lying parallel to (001).

scholarly journals Crystal structure of bis[tetrakis(triphenylphosphane-κP)silver(I)] (nitrilotriacetato-κ4N,O,O′,O′′)(triphenylphosphane-κP)argentate(I) with an unknown amount of methanol as solvate

2016 ◽  
Vol 72 (3) ◽  
pp. 318-321 ◽  
Author(s):  
Julian Noll ◽  
Marcus Korb ◽  
Heinrich Lang
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Unit Cell ◽  
Formula Unit ◽  
Crystal Data ◽  
Asymmetric Unit ◽  
Complex Ions ◽  
Acta Cryst ◽  
Solvent Model

The structure of the title compound, [Ag(C18H15P)4]2[Ag(C6H6NO6)(C18H15P)], exhibits trigonal (P-3) symmetry, with aC3axis through all three complex ions, resulting in an asymmetric unit that contains one third of the atoms present in the formula unit. The formula unit thus contains two of the cations, one anion and disordered molecules of methanol as the packing solvent. Attempts to refine the solvent model were unsuccessful, indicating uninterpretable disorder. Thus, the SQUEEZE procedure inPLATON[Spek (2015).Acta Cryst. C71, 9–18] was applied, accounting for 670 electrons per unit cell, representing approximately 18 molecules of methanol in the formula unit. The stated crystal data forMr, μetcdo not take these into account.

scholarly journals Crystal structure of (2E)-2-methoxyimino-2-{2-[(2-methylphenoxy)methyl]phenyl}-N′-(4-nitrobenzylidene)ethanohydrazide

2015 ◽  
Vol 71 (4) ◽  
pp. 377-379 ◽  
Author(s):  
Chetan Shrimandhar Shripanavar ◽  
Ray J. Butcher
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Central Core ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Compound C ◽  
Methyl Phenyl

The title compound, C24H22N4O5, crystallizes with two molecules in the asymmetric unit (Z′ = 2) oriented almost perpendicular to each other [dihedral angle between the central core of each molecule = 77.95 (3)°]. The two molecules exhibit similar conformations with an extended structure. An intramolecular C—H...N hydrogen bond occurs in each molecule. The two molecules are linked by a bifurcated N—H...(O,N) hydrogen bond involving the NH group in moleculeAas donor. They are further linked into a ribbon along thea-axis direction by further bifurcated N—H...(O,N) hydrogen bonds involving the NH group in moleculeBas donor. C—H...O interactions are also observed.

scholarly journals Crystal structure of 4-[(E)-(4-hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one

2015 ◽  
Vol 71 (12) ◽  
pp. o947-o948
Author(s):  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Shaaban K. Mohamed ◽  
Alaa F. Mohamed ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C18H17N3O2, comprises three independent molecules (1, 2 and 3). In molecule 1, the dihedral angles between the pyrazolone ring and the pendant phenyl and hydroxybenzene rings are 54.43 (6) and 28.72 (6)°, respectively. The corresponding data for molecule 2 are 86.84 (6) and 25.69 (5)°, respectively, and for molecule 3 are 47.41 (7) and 17.09 (7)°, respectively. The three molecules feature an intramolecular C—H...O interaction, which closes anS(6) ring in each case. In the crystal, molecules are linked by O—H...O hydrogen bonds, which generate [100] chains incorporating all three asymmetric molecules. Two weak C—H...O interactions connect three independent molecules to each other along the c-axis direction.

scholarly journals Crystal structure of 4,4′-diethynylbiphenyl

2015 ◽  
Vol 71 (7) ◽  
pp. 816-820
Author(s):  
Tei Tagg ◽  
C. John McAdam ◽  
Brian H. Robinson ◽  
Jim Simpson
Keyword(s):  
Crystal Structure ◽  
Network Structure ◽  
Title Compound ◽  
Triple Bond ◽  
Three Dimensional ◽  
Unit Cell ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

The title compound, C16H10, crystallizes with four unique molecules, designated 1–4, in the asymmetric unit of the monoclinic unit cell. None of the molecules is planar, with the benzene rings of molecules 1–4 inclined to one another at angles of 42.41 (4), 24.07 (6), 42.59 (4) and 46.88 (4)°, respectively. In the crystal, weak C—H...π(ring) interactions, augmented by even weaker C[triple-bond]C—H...π(alkyne) contacts, generate a three-dimensional network structure with interlinked columns of molecules formed along thec-axis direction.

scholarly journals Methyl 5-methyl-1-(1H-pyrazol-3-yl)-1H-1,2,3-triazole-4-carboxylate

2014 ◽  
Vol 70 (7) ◽  
pp. o755-o755 ◽  
Author(s):  
Xiao-Guang Bai ◽  
Chao Feng
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Axis Direction ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

The asymmetric unit of the title compound, C8H9N5O2, contains two independent molecules (AandB) in which the dihedral angles between the triazole and pyrazole rings are 4.80 (14) and 8.45 (16)°. In the crystal, molecules are linked by N—H...N hydrogen bonds into supramolecular independentAandBchains propagating along theb-axis direction. The crystal structure also features π–π stacking between the aromatic rings of adjacent chains, the centroid–centroid separations being 3.8001 (15), 3.8078 (17), 3.8190 (14) and 3.8421 (15) Å.

scholarly journals Crystal structure of (E)-2-(furan-2-ylmethylidene)-2,3,4,9-tetrahydro-1H-carbazol-1-one

2018 ◽  
Vol 74 (1) ◽  
pp. 59-61
Author(s):  
A. Thiruvalluvar ◽  
M. Sridharan ◽  
K. J. Rajendra Prasad ◽  
M. Zeller
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules ◽  
The Individual

The title compound, C17H13NO2, crystallizes with two conformationally very similar independent molecules (AandB) in the asymmetric unit. In the crystal, the individual molecules are linked by pairs of N—H...O hydrogen bonds formingA–AandB–Binversion dimers, withR22(10) rings. They stack alternately up thea-axis direction and are linked by C—H...π interactions, forming sheets parallel to theabplane.

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