scholarly journals 2-Azido-1-(4-methylphenyl)ethanone

2012 ◽  
Vol 68 (6) ◽  
pp. o1608-o1608
Author(s):  
Muhammad Arshad ◽  
Sammer Yousuf ◽  
Hafiza Madiha Butt ◽  
Sumayya Saeed ◽  
Fatima Z. Basha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Title Compound ◽  
Azide Group ◽  
Compound C

In the molecule of the title compound, C9H9N3O, the angle formed by the least-squares line through the azide group with the normal to the plane of the benzene plane ring is 46.62 (16)°. The crystal structure features C—H...O hydrogen bonds, which link the molecules into zigzag chains running parallel to [010].

scholarly journals Crystal structure ofO-ethylN-(ethoxycarbonyl)thiocarbamate

2015 ◽  
Vol 71 (10) ◽  
pp. o782-o783 ◽  
Author(s):  
Matthew J. Henley ◽  
Alex M. Schrader ◽  
Victor G. Young ◽  
George Barany
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Title Compound ◽  
Compound C ◽  
The One ◽  
Related Compounds ◽  
Centrosymmetric Dimers

The title compound, C6H11NO3S, provides entries to novel carbamoyl disulfanes and related compounds of interest to our laboratory. The atoms of the central O(C=S)N(C=O)O fragment have an r.m.s. deviation of 0.1077 Å from the respective least-squares plane. While several conformational orientations are conceivable, the crystal structure shows only the one in which the carbonyl and the thiocarbonyl moieties areantito each other across the central conjugated C—N—C moiety. Pairs of 2.54 Å N—H...S=C hydrogen bonds between adjacent molecules form centrosymmetric dimers in the crystal.

scholarly journals Crystal structure of (E)-N-(3,4-dimethoxybenzylidene)morpholin-4-amine

2014 ◽  
Vol 70 (9) ◽  
pp. o935-o935 ◽  
Author(s):  
Sevim Türktekin Çelikesir ◽  
Mehmet Akkurt ◽  
Aliasghar Jarrahpour ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Title Compound ◽  
Chair Conformation ◽  
Screw Axis ◽  
Compound C ◽  
Axis Parallel ◽  
Morpholine Ring ◽  
Supramolecular Chains

In the title compound, C13H18N2O3, the benzene ring makes a dihedral angle of 17.19 (11)° with the least-squares plane formed by the four C atoms of the morpholine ring, which adopts a chair conformation. In the crystal, C—H...N hydrogen bonds link the molecules into supramolecular chains running along a 21screw axis parallel to theb-axis direction. Weak C—H...π interactions are also observed.

scholarly journals Crystal structure of 6-bromo-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde

2015 ◽  
Vol 71 (7) ◽  
pp. 857-860 ◽  
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Title Compound ◽  
Weak Interactions ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

In the title compound, C10H4BrFO3, a brominated and fluorinated 3-formylchromone derivative, all atoms are essentially coplanar (r.m.s. deviation of 0.025 Å for the non-H atoms), with the largest deviation from the least-squares plane [0.050 (6) Å] being for a benzene-ring C atom. In the crystal, molecules are linked through stacking interactions [centroid–centroid distance between the benzene and pyran rings = 3.912 (4) Å], C—H...O hydrogen bonds and short C...O contacts [2.865 (7) Å]. Unsymmetrical halogen...halogen interactions between the bromine and fluorine atoms [Br...F = 3.116 (4) Å, C—Br...F = 151.8 (2), C—F...Br = 154.1 (4)°] are also formed, giving a meandering two-dimensional network propagating in the (041) plane. A comparison with related structures is made and the various types of weak interactions are ranked in importance.

scholarly journals Crystal structure of 4-(2-azidophenyl)-5-benzoyl-2-(1H-indol-3-yl)-1H-pyrrole-3-carbonitrile

2015 ◽  
Vol 71 (5) ◽  
pp. o335-o336 ◽  
Author(s):  
G. Vimala ◽  
J. Kamal Raja ◽  
Y. Amina Naaz ◽  
P. T. Preumal ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Pyrrole Ring ◽  
Ring System ◽  
Dihedral Angles ◽  
Indole Ring ◽  
Azide Group ◽  
Compound C

In the title compound, C26H16N6O, the dihedral angles between the central pyrrole ring and the pendant indole ring system (r.m.s. deviation = 0.027 Å) and the azide-bearing benzene ring are 37.56 (8) and 51.62 (11)°, respectively. The azide group is almost coplanar with its attached benzene ring [C—C—N—N = 3.8 (3)°]. The benzoyl benzene ring is disordered over two orientations twisted with respect to each other by 9.29 (8)° in a 0.514 (2):0.486 (2) ratio. In the crystal, inversion dimers linked by pairs of Np—H...O (p = pyrrole) hydrogen bonds generateR22(10) loops. A second inversion dimer arises from a pair of Ni—H...Nc(i = indole and c = cyanide) hydrogen bonds, which generates anR22(16) loop. Together, the hydrogen bonds lead to [011] chains in the crystal.

scholarly journals Crystal structure ofN-(7-dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)benzamide–pyrrolidine-2,5-dione (1/1)

2017 ◽  
Vol 73 (1) ◽  
pp. 1-3
Author(s):  
Bang Zhong Wang ◽  
Jun Ping Zhou ◽  
Yong Zhou ◽  
Jian Song Luo ◽  
Jun Jie Yang ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Title Compound ◽  
Mirror Symmetry ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking

The title compound, C17H13Br2N3O·C4H5NO2, is a co-crystal ofN-(7-dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)benzamide and pyrrolidine-2,5-dione (succinimide). The benzamide molecule exhibits pseudo-mirror symmetry, with an r.m.s. deviation of the non-H atoms of 0.09 Å (except for the two Br atoms). The angle between the least-squares planes of the two molecules is 26.2 (2)°. In the crystal, the two molecules are mutually linked by N—H...O and N—H...N hydrogen bonds. The packing is consolidated by C—H...(O,N) hydrogen bonds and π–π stacking interactions.

scholarly journals Crystal structure of (E)-3-(5-bromo-2-hydroxyphenyl)acrylaldehyde

2014 ◽  
Vol 70 (11) ◽  
pp. o1219-o1220
Author(s):  
Sung-Gon Kim
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Torsion Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Maximum Deviation ◽  
Supramolecular Network ◽  
Compound C

The title compound, C9H7BrO2, displays atransconfiguration with respect to the C=C double bond and is essentially planar [maximum deviation from the least-squares plane through all non-H atoms = 0.056 (4) Å]. The vinylaldehyde group adopts an extended conformation wih a C—C—C—C torsion angle of 179.7 (4)°. In the crystal, molecules are linked by classical O—H...O and weak C—H...O hydrogen bonds into a three-dimensional supramolecular network.

scholarly journals Crystal structure of 8-bromo-4-oxo-4H-chromene-3-carbaldehyde

2015 ◽  
Vol 71 (8) ◽  
pp. o572-o573
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Title Compound ◽  
Halogen Bonding ◽  
Stacking Interactions ◽  
Face To Face ◽  
Compound C ◽  
Centroid Distance ◽  
Van Der Waals Radii

In the title compound, C10H5BrO3, a brominated 3-formylchromone, all atoms are essentially coplanar (r.m.s. = 0.0104 Å for the non-H atoms), with the largest deviation from the least-squares plane [0.028 (5) Å] being for one of the benzene C atoms. In the crystal, molecules are linked through C—H...O hydrogen bonds, which are further assembled by face-to-face π–π stacking interactions [centroid–centroid distance between the pyran rings = 3.854 (4) Å]. Shorter contacts than the sum of van der Waals radii are observed between the Br and formyl O atoms [Br...O = 3.046 (4) Å, C—Br...O = 175.23 (18)° and Br...O—C = 132.6 (3)°], features that do indicate halogen bonding.

scholarly journals Crystal structure of 7-bromo-4-oxo-4H-chromene-3-carbaldehyde

2014 ◽  
Vol 70 (9) ◽  
pp. o996-o996 ◽  
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Title Compound ◽  
Stacking Interactions ◽  
Compound C ◽  
Centroid Distance

In the title compound, C10H5BrO3, a brominated 3-formylchromone derivative, all atoms are essentially coplanar (r.m.s. = 0.0631 Å for the non-H atoms), with the largest deviation from the least-squares plane [0.215 (3) Å] being for the formyl O atom. In the crystal, molecules are linked into tapes through C—H...O hydrogen bonds and these tapes are assembled by stacking interactions [centroid–centroid distance between the pyran rings = 3.858 (3) Å] to form supramolecular layers that stack along thecaxis.

scholarly journals Crystal structure of 5-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde

2015 ◽  
Vol 71 (12) ◽  
pp. o1031-o1032
Author(s):  
Farook Adam ◽  
Seranthimata Samshuddin ◽  
Nadiah Ameram ◽  
Subramaya ◽  
Laxminarayana Samartha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Aldehyde Group ◽  
Dihedral Angles ◽  
Single Bond ◽  
Compound C ◽  
Benzene Rings

The title compound, C19H21N3O, comprises a central pyrazole ring which is N-connected to an aldehyde group and C-connected twice to substituted benzene rings. The pyrazole ring is twisted on the C—C single bond, and the least-squares plane through this ring forms dihedral angles of 82.44 (5) and 4.52 (5)° with the (dimethylamino)benzene andp-tolyl rings, respectively. In the crystal, weak C—H...O hydrogen bonds link molecules into supramolecular tubes along thebaxis.

scholarly journals Crystal structure of 4-(4-methoxyphenoxy)benzaldehyde

2015 ◽  
Vol 71 (12) ◽  
pp. o1021-o1021
Author(s):  
Andreas Schäfer ◽  
Ljuba Iovkova-Berends ◽  
Stefan Gilke ◽  
Paul Kossmann ◽  
Hans Preut ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Dihedral Angle ◽  
Title Compound ◽  
Nucleophilic Addition ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

The title compound, C14H12O3, was synthesizedviathe nucleophilic addition of 4-methoxyphenol to 4-fluorobenzaldehyde. The dihedral angle between the least-squares planes of the benzene rings is 71.52 (3)° and the C—O—C angle at the central O atom is 118.82 (8)°. In the crystal, weak C—H...O hydrogen bonds link the molecules to generate supramolecular layers in thebcplane. The layers are linked by weak C—H...π interactions.

Sign in / Sign up

Export Citation Format

Share Document