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 2-bromo-1,4-dihydroxy-9,10-anthraquinone

2014 ◽  
Vol 70 (10) ◽  
pp. o1130-o1130 ◽  
Author(s):  
Wataru Furukawa ◽  
Munenori Takehara ◽  
Yoshinori Inoue ◽  
Chitoshi Kitamura
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network

In an attempt to brominate 1,4-dipropoxy-9,10-anthraquinone, a mixture of products, including the title compound, C14H7BrO4, was obtained. The molecule is essentially planar (r.m.s. deviation = 0.029 Å) and two intramolecular O—H...O hydrogen bonds occur. In the crystal, the molecules are linked by weak C—H...O hydrogen bonds, Br...O contacts [3.240 (5) Å], and π–π stacking interactions [shortest centroid–centroid separation = 3.562 (4) Å], generating a three-dimensional network.

scholarly journals N-Methyl-N-nitroso-p-toluenesulfonamide

2014 ◽  
Vol 70 (7) ◽  
pp. o782-o782
Author(s):  
Kartik Rai ◽  
Vincent Wu ◽  
Priya Gupta ◽  
David A. Laviska ◽  
Benny C. Chan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Methyl Groups ◽  
Stacking Interactions ◽  
Aromatic Rings ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

The crystal structure of the title compound, C8H10N2O3S, displays predominant C—H...O hydrogen-bonding and π–π stacking interactions. The hydrogen bonds are between the O atoms of the sulfonyl group and H atoms on methyl groups. The π–π stacking interactions occur between adjacent aromatic rings, with a centroid–centroid distance of 3.868 (11) Å. These interactions lead to the formation of chains parallel to (101).

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 1-(5-bromo-1-benzofuran-2-yl)ethanone oxime

2015 ◽  
Vol 71 (10) ◽  
pp. o773-o774
Author(s):  
G. Krishnaswamy ◽  
P. Krishna Murthy ◽  
R. Nivedita Desai ◽  
P. A. Suchetan ◽  
D. B. Aruna Kumar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Stacking Interactions ◽  
Oxime Group ◽  
Compound C ◽  
Π Stacking

The title compound, C10H8BrNO2, is almost planar (r.m.s. deviation for the non-H atoms = 0.031 Å) and the conformation across the C=N bond istrans. Further, the O atom of the benzofuran ring issynto the N atom of the oxime group. In the crystal, inversion dimers linked by pairs of O—H...N hydrogen bonds generateR22(6) loops. Very weak aromatic π–π stacking interactions [centroid–centroid separations = 3.9100 (12) and 3.9447 (12) Å] are also observed.

scholarly journals Crystal structure of 2-oxopyrrolidin-3-yl 4-(2-phenyldiazen-1-yl)benzoate

2018 ◽  
Vol 74 (4) ◽  
pp. 458-460 ◽  
Author(s):  
Igor Elkin ◽  
Thierry Maris ◽  
Alexandre Melkoumov ◽  
Patrice Hildgen ◽  
Xavier Banquy ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Stacking Interactions ◽  
Π Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Supramolecular Chains

In the title compound, C17H15N3O3, the plane of the pyrrolidone ring is inclined at an angle of 59.791 (2)° to that of the azobenzene segment, which adopts a configuration close to planar. In the crystal, molecules are oriented pairwise by (2-oxopyrrolidin-3-yl)oxy moieties at an angle of 76.257 (3)°, linked by hydrogen bonds and π-stacking interactions, forming zigzag supramolecular chains parallel to [010] further linked via additional C—H...π interactions.

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.

5-[(4-Methylphenyl)methyl]benzene-1,2,4-tricarbonitrile

2007 ◽  
Vol 63 (3) ◽  
pp. o1230-o1231 ◽  
Author(s):  
Zhi-Feng Lu ◽  
Jian-Hua Xu ◽  
Jeannie Bee-Jan Teh ◽  
Hoong-Kun Fun
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Methyl Benzene

In the title compound, C17H11N3, the dihedral angle between the tolyl and tricyanophenyl rings is 81.1 (1)°. The crystal structure is stabilized by weak C—H...N hydrogen bonds and π–π stacking interactions.

scholarly journals Crystal structure of 1,3-bis{[4-(acetylsulfanyl)phenyl]ethynyl}azulene

2015 ◽  
Vol 71 (12) ◽  
pp. o1099-o1100
Author(s):  
Sebastian Förster ◽  
Wilhelm Seichter ◽  
Edwin Weber
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings

In the title compound, C30H20O2S2, the dihedral angles between the central azulene ring system (r.m.s. deviation = 0.039 Å) and the pendant benzene rings are 28.96 (7) and 55.15 (7)°. The dihedral angles between the benzene rings and their attached acetylsulfanyl groups are 59.60 (10) and 84.79 (10)°. The expected π–π stacking interactions are not observed in the crystal structure; instead, the packing features C—H...O hydrogen bonds, which link the molecules intoC(12) [010] chains, which are supported by weak C—H...π contacts.

scholarly journals (E)-3-{4-[(7-Chloroquinolin-4-yl)oxy]-3-methoxyphenyl}-1-(4-methylphenyl)prop-2-en-1-one: a ladder-like structure resulting solely from π–π stacking interactions

2014 ◽  
Vol 70 (7) ◽  
pp. 677-680
Author(s):  
Alba Montoya ◽  
Braulio Insuasty ◽  
Justo Cobo ◽  
Christopher Glidewell
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
The Other ◽  
Stacking Interactions ◽  
Quinoline Ring ◽  
Compound C ◽  
Π Stacking ◽  
Quinoline Fragment ◽  
Molecular Skeleton

In the title compound, C26H20ClNO3, the quinoline fragment is nearly orthogonal to the adjacent aryl ring, while the rest of the molecular skeleton is close to being planar. The crystal structure contains no hydrogen bonds of any sort, but there are two π–π stacking interactions present. One, involving the quinoline ring, links molecules related by inversion, while the other, involving the two nonfused aryl rings, links molecules related by translation, so together forming a ladder-type arrangement

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