scholarly journals n-Decyltrimethylammonium bromide

IUCrData ◽  
2019 ◽  
Vol 4 (7) ◽  
Author(s):  
Marissa Saladin ◽  
Mark Maroncelli ◽  
Hemant P. Yennawar
Keyword(s):  
Title Compound ◽  
Bilayer Structure ◽  
Positional Disorder ◽  
Decyltrimethylammonium Bromide ◽  
Compound C

The title compound, C13H30N+·Br− (systematic name: N,N,N-trimethyl-1-decanaminium bromide), forms crystals having a bilayer structure, comprised of layers of trimethylammonium cations and bromide anions separated by the inter-digitated n-decyl groups of the cation; close ammonium-methyl-C—H...Br contacts connect the ions. The n-decyl chain adopts a slightly distorted all-trans conformation. The n-decyl chain exhibits positional disorder with all atoms at half occupancy. The sample was a racemic twin.

2-Hydroxypropane-1,3-diammonium bis(phosphonato)zincate(II) hemihydrate

2007 ◽  
Vol 63 (11) ◽  
pp. m2779-m2779
Author(s):  
Andrew S. Holtby ◽  
William T. A. Harrison
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Mirror Plane ◽  
Oh Groups ◽  
Positional Disorder ◽  
Twofold Axis ◽  
Compound C

In the title compound, (C3H12N2O)[Zn(HPO3)2]·0.5H2O, the inorganic macroanionic chain is built up from ZnO4 tetrahedra and HPO3 pseudo-pyramids sharing vertices. The organic dication shows positional disorder of its central –OH group in a 0.614 (7):0.386 (7) ratio. The components interact by way of O—H...O and N—H...O hydrogen bonds. The Zn atom lies on a crystallographic twofold axis and one C atom, the disordered O atoms of the –OH groups and the water O atom lie on a crystallographic mirror plane.

scholarly journals (2E)-1-(2,6-Dichloro-3-fluorophenyl)-3-phenylprop-2-en-1-one

2012 ◽  
Vol 68 (4) ◽  
pp. o1085-o1085
Author(s):  
Aletti S. Praveen ◽  
Hemmige S. Yathirajan ◽  
Badiadka Narayana ◽  
Thomas Gerber ◽  
Eric Hosten ◽  
...  
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Site Occupancy ◽  
Positional Disorder ◽  
Compound C ◽  
Centroid Distance ◽  
Aromatic Systems

In the title compound, C15H9Cl2FO, the F atom shows positional disorder over two positions, with site-occupancy factors of 0.747 (4) and 0.253 (4). The dihedral angle between the rings is 86.37 (10)°. In the crystal, C—H...O contacts connect the molecules into chains along thecaxis. The shortest inter-centroid distance between two aromatic systems is 3.6686 (12) Å and is apparent between the halogenated rings.

scholarly journals Ethyl 2-(6-nitro-1H-indazol-1-yl)acetate

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
Mohamed Mokhtar Mohamed Abdelahi ◽  
Youness El Bakri ◽  
Mohammed Benchidmi ◽  
El Mokhtar Essassi ◽  
Joel T. Mague
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Positional Disorder ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C11H11N3O4, comprises two independent molecules, both of which display positional disorder of their ethyl chains in 0.868 (4):0.132 (4) and 0.839 (4):0.161 (4) ratios. The packing is directed by a combination of C—H...O hydrogen bonds and N—O...π interactions between nitro groups and the aromatic rings.

Observation of an infrequent enantiomer/conformer substitutional disorder in ethyl 13-ethyl-4-oxo-8,13-dihydro-4H-benzo[5,6]azepino[3,2,1-ij]quinoline-5-carboxylate heptane hemisolvate

2018 ◽  
Vol 74 (12) ◽  
pp. 1569-1575 ◽  
Author(s):  
Mario A. Macías ◽  
Elkin E. Sanabria ◽  
Lina M. Acosta-Quintero ◽  
Alirio Palma ◽  
Leopoldo Suescun
Keyword(s):  
Crystal Structure ◽  
Broad Spectrum ◽  
Title Compound ◽  
Biological Activities ◽  
Solvent Molecule ◽  
Asymmetric Unit ◽  
Positional Disorder ◽  
Compound C

Considering the importance of quinolones due to their broad spectrum of biological activities, the crystal structure of the title compound, C22H21NO3·0.5C7H16, has been determined. Two enantiomers of the benzazepinoquinoline molecule and one molecule of heptane form the asymmetric unit of this centrosymmetric triclinic (P\overline{1}) crystal. All the molecules in the crystal present disorder. Substitutional disorder is observed for the benzazepine molecules, where a minority conformer of the R enantiomer replaces the main conformer of the S enantiomer and vice versa. Positional disorder is found for the heptane solvent molecule, which occupies a void left by the independent enantiomers of both conformers.

scholarly journals Ethyl 4-(2,5-dimethylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUCrData ◽  
2017 ◽  
Vol 2 (10) ◽  
Author(s):  
Shashi R ◽  
Noor Shahina Begum
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Side Chain ◽  
Asymmetric Unit ◽  
Positional Disorder ◽  
Compound C

The title compound, C16H20N2O2S, crystallizes with two molecules in the asymmetric unit, one of which shows positional disorder of the ethyl side chain over two orientations in a 0.555 (7):0.445 (7) ratio. The hydropyrimidine ring adopts a shallowboatconformation and the 2,5-dimethylphenyl ring is positioned axially. The crystal structure features N—H...S, N—H...O and C—H...O hydrogen bonds, which link the molecules into (10-1) sheets.

scholarly journals (4E)-1-Decyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
Jihad Sebhaoui ◽  
Cherryl Mirabelle Zang Ondo ◽  
Youness El Bakri ◽  
El Mokhtar Essassi ◽  
Joel T. Mague
Keyword(s):  
Title Compound ◽  
Membered Ring ◽  
Bilayer Structure ◽  
Extended Conformation ◽  
Compound C

The title compound, C22H32N2O2, forms bilayers with then-decyl chains in extended conformation oriented towards the interior of the bilayer structure. Weak C—H...O interactions help to stabilize the exterior surfaces. The conformation of the seven-membered ring has been analysed.

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

Determination of the structure of bis(propyldithiocarbamate)nickel(II)

1990 ◽  
Vol 55 (4) ◽  
pp. 1010-1014 ◽  
Author(s):  
Jiří Kameníček ◽  
Richard Pastorek ◽  
František Březina ◽  
Bohumil Kratochvíl ◽  
Zdeněk Trávníček
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Heavy Atom ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Planar Configuration ◽  
Compound C ◽  
Heavy Atom Method

The crystal and molecular structure of the title compound (C8H16N2NiS4) was solved by the heavy atom method and the structure was refined anisotropically to a final R factor of R = 0.029 (wR = 0.037) for 715 observed reflections. The crystal is monoclinic, space group P21/c with a = 948.3(2), b = 776.9(2), c = 1 167.4(2) pm, β = 125.14(2)°, Z = 2. The molecule contains two four-membered NiSCS rings of approximately planar configuration with the Ni atom situated at a centre of symmetry. The molecules are arranged in chains along the c-axis of the unit cell.

scholarly journals Crystal structure of ethyl 2-{2-[(1Z)-1-hydroxy-3-(4-nitrophenyl)-3-oxoprop-1-en-1-yl]phenoxy}acetate

2015 ◽  
Vol 71 (12) ◽  
pp. o917-o918 ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Eman A. Ahmed ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Compound C

The title compound, C19H17NO7, crystallized in a ratio of about 6:4 of the two possible keto–enol forms. This was observed as disorder over the central C3H2O2unit. The dihedral angle between the rings is 8.2 (2)°.The molecules pack by C—H...O interactions in a layered fashion parallel to (-104).

scholarly journals N-(3-Chloro-4-ethoxy-1-methyl-1H-indazol-5-yl)-4-methoxybenzenesulfonamide

2014 ◽  
Vol 70 (6) ◽  
pp. o679-o679 ◽  
Author(s):  
Hakima Chicha ◽  
El Mostapha Rakib ◽  
Abdellah Hannioui ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Ethoxy Group ◽  
Π Interactions ◽  
Compound C ◽  
The Mean

The indazole ring system of the title compound, C17H18ClN3O4S, is almost planar (r.m.s. deviation = 0.0113 Å) and forms dihedral angles of 32.22 (8) and 57.5 (3)° with the benzene ring and the mean plane through the 4-ethoxy group, respectively. In the crystal, molecules are connected by pairs of N—H...O hydrogen bonds into inversion dimers, which are further linked by π–π interactions between the diazole rings [intercentroid distance = 3.4946 (11) Å], forming chains parallel to [101].

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