scholarly journals 5-Hydroxy-2-phenyl-7-(prop-2-yn-1-yloxy)-4H-chromen-4-one

IUCrData ◽  
2017 ◽  
Vol 2 (4) ◽  
Author(s):  
Fan Yang ◽  
Yang Li ◽  
Shu-Jing Zhou
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Maximum Deviation ◽  
Supramolecular Network ◽  
Stacking Interactions ◽  
Compound C

In the title compound, C18H12O4, the essentially planar chromenone ring system [the maximum deviation = 0.016 (2) Å] is nearly co-planar with the phenyl ring [dihedral angle = 3.85 (8)°]. An intramolecular O—H...O hydrogen bond occurs. In the crystal, weak C—H...O hydrogen bonds and π–π stacking interactions link the molecules into a three-dimensional supramolecular network.

scholarly journals 3,4,6-Triamino-N-phenylthieno[2,3-b]pyridine-2-carboxamide

2014 ◽  
Vol 70 (7) ◽  
pp. o805-o805
Author(s):  
Shaaban K. Mohamed ◽  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Bahgat R. M. Hussein ◽  
Mustafa R. Albayati
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Compound C ◽  
Dimensional Network ◽  
Fused Ring ◽  
Fused Ring System

In the title compound, C14H13N5OS, the dihedral angle between the fused ring system (r.m.s. deviation = 0.028 Å) and the phenyl ring is 48.24 (4)°. The molecule features both an intramolecular N—H...O and an N—H...N hydrogen bond. In the crystal, molecules are linked by N—H...O and N—H...N hydrogen bonds, generating a three-dimensional network. A weak N—H...π interaction is also observed.

scholarly journals 1-Benzyl-1H-benzotriazole

2012 ◽  
Vol 68 (4) ◽  
pp. o1132-o1132 ◽  
Author(s):  
P. Selvarathy Grace ◽  
Samuel Robinson Jebas ◽  
B. Ravindran Durai Nayagam ◽  
Dieter Schollmeyer
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Maximum Deviation ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

In the title compound, C13H11N3, the benzotriazole ring system is essentially planar, with a maximum deviation of 0.0173 (18) Å, and forms a dihedral angle of 75.08 (8)Å with the phenyl ring. In the crystal, pairs of weak C—H...N hydrogen bonds form inversion dimers. In addition, there are weak C—H...π(arene) interactions and weak π–π stacking interactions, with a centroid–centroid distance of 3.673 (11) Å.

scholarly journals (Z)-3-(1-Chloroprop-1-enyl)-2-methyl-1-phenylsulfonyl-1H-indole

2013 ◽  
Vol 69 (12) ◽  
pp. o1781-o1781 ◽  
Author(s):  
M. Umadevi ◽  
V. Saravanan ◽  
R. Yamuna ◽  
A. K. Mohanakrishnan ◽  
G. Chakkaravarthi
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Indole Ring ◽  
Compound C ◽  
Dimensional Network ◽  
A Chain

In the title compound, C18H16ClNO2S, the indole ring system forms a dihedral angle of 75.07 (8)° with the phenyl ring. The molecular structure is stabilized by a weak intramolecular C—H...O hydrogen bond. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming a chain along [10-1]. C—H...π interactions are also observed, leading to a three-dimensional network.

scholarly journals (5R*)-5-[(2S*,5S*)-1-Methoxy-5-phenylpyrrolidin-2-yl]-3-methylfuran-2(5H)-one

2014 ◽  
Vol 70 (8) ◽  
pp. o839-o839
Author(s):  
Takeshi Oishi ◽  
Makoto Yoritate ◽  
Takaaki Sato ◽  
Noritaka Chida
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Maximum Deviation ◽  
Pyrrolidine Ring ◽  
Π Interactions ◽  
Compound C ◽  
Twist Conformation

In the title compound, C16H19NO3, the pyrrolidine ring is in a twist conformation. The dihedral angle between the dihydrofuran ring [maximum deviation = 0.0016 (11) Å] and the phenyl ring is 47.22 (8)°. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming helical chains along theb-axis direction. The chains are further linked by C—H...π interactions to constitute a three-dimensional architecture.

scholarly journals 3-Benzyl-7-(2,4-dichlorophenyl)-4H-1,3,4-thiadiazolo[2,3-c][1,2,4]triazin-4-one

2012 ◽  
Vol 68 (6) ◽  
pp. o1736-o1737
Author(s):  
Hoong-Kun Fun ◽  
Suhana Arshad ◽  
B. K. Sarojini ◽  
U. A. Imran ◽  
B.G. Krishna
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Triazine Ring ◽  
Compound C ◽  
Graph Set

In the title compound, C17H10Cl2N4OS, the phenyl ring and the H atoms attached to the adjacent C atom are disordered over two positions, with refined site occupancies of 0.509 (8) and 0.491 (8). The planar 4H-1,3,4-thiadiazolo[2,3-c][1,2,4]triazine ring system [maximum deviation = 0.048 (3) Å] forms dihedral angles of 76.9 (5), 74.9 (5) and 9.88 (12)°, respectively, with the major and minor parts of the disordered phenyl ring and with the dichloro-substituted benzene ring. In the crystal, pairs of C—H...O hydrogen bonds link the molecules, forming inversion dimers with an R 2 2(18) graph-set motif. A short S...N contact of 2.801 (3) Å is observed between the dimers.

scholarly journals N-(6-Chloro-1-methyl-1H-imidazo[4,5-c]pyridin-4-yl)benzenesulfonamide

2014 ◽  
Vol 70 (4) ◽  
pp. o445-o445
Author(s):  
Venkatesh B. Devaru ◽  
K. S. Katagi ◽  
O. Kotresh ◽  
H. K. Arunkashi ◽  
H. C. Devarajegowda
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

The asymmetric unit of the title compound, C13H11ClN4O2S, contains two molecules (AandB), in which the dihedral angles between the 1H-imidazo[4,5-c]pyridine system and terminal phenyl ring are 80.83 (10) and 62.34 (1)°. In the crystal,A–Bdimers are linked by pairs of N—H...N hydrogen bonds, which generateR22(10) loops. The dimers are linked by C—H...O and C—H...Cl interactions, generating a three-dimensional network. Aromatic π–π stacking interactions [shortest centroid–centroid distance = 3.5211 (12) Å] are also observed.

scholarly journals 2-Bromo-2-methyl-1-[4-(methylsulfanyl)phenyl]propan-1-one

2012 ◽  
Vol 68 (6) ◽  
pp. o1759-o1759
Author(s):  
Fei Liu ◽  
Shi-Ying Ren ◽  
Wei-Ji Yang
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Maximum Deviation ◽  
Compound C ◽  
Planar Conformation ◽  
Ring Motif

In the title compound, C11H13BrOS, the thioether unit and the phenyl ring adopt an essentially planar conformation, with a maximum deviation of 0.063 Å. In the crystal, molecules are linked by C—H...O hydrogen bonds, extending in zigzag chains along the b axis. A weak intramolecular C—H...Br hydrogen bond is also observed, which forms an S(6) ring motif.

scholarly journals 3,4-Difluoro-2-hydroxybenzoic acid

2014 ◽  
Vol 70 (5) ◽  
pp. o519-o519 ◽  
Author(s):  
Bhaskarachar Ravi Kiran ◽  
Bandrehalli Siddagangaiah Palakshamurthy ◽  
Giriyapura R. Vijayakumar ◽  
Hebbur Shivamurthy Bharath
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Hydroxybenzoic Acid ◽  
Stacking Interactions ◽  
Three Dimensional Structure ◽  
Compound C ◽  
Centroid Distance

In the title compound, C7H4F2O3, an intramolecular O—H...O hydrogen bond is observed. In the crystal, inversion dimers linked by pairs of O—H...O hydrogen bonds generateR22(8) ring motifs. These dimers are linked by C—H...O and C—H...F hydrogen bonds, forming sheets lying parallel to (30-1). The sheets are linked by aromatic π–π stacking interactions [inter-centroid distance = 3.7817 (9) Å], forming a three-dimensional structure.

scholarly journals 1,4-Dihydroxy-2,3-dinitro-9,10-anthraquinone

IUCrData ◽  
2016 ◽  
Vol 1 (6) ◽  
Author(s):  
Wataru Furukawa ◽  
Munenori Takehara ◽  
Yoshinori Inoue ◽  
Chitoshi Kitamura
Keyword(s):  
Hydrogen Bonds ◽  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Compound C ◽  
Dimensional Network

In the title compound, C14H6N2O8, the anthraquinone unit is essentially planar [maximum deviation = 0.0645 (10) Å], and there are two intramolecular O–H...O hydrogen bonds formingS(6) motifs. The planes of the two nitro substituents make dihedral angles of 54.77 (8) and 55.60 (3)° with the anthraquinone ring system. In the crystal, molecules are linked by short intermolecular O...O contacts, leading to a three-dimensional network structure.

scholarly journals Ethyl 4,6-dimethyl-3-oxo-2-phenyl-3,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate monohydrate

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Soufiane Akhramez ◽  
Abderrafia Hafid ◽  
Mostafa Khouili ◽  
Olivier Mentre ◽  
El Mostafa Ketatni
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Organic Molecules ◽  
Maximum Deviation ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Lattice Water ◽  
Compound C

In the title compound, C17H17N3O3·H2O, the dihedral angle between the 4,6-dimethyl-pyrazolo[3,4-b]pyridine-3-one unit [maximum deviation = 0.048 (2) Å] and the phenyl ring is 5.1 (1)°. The structure is characterized by disorder of the carboxylate O atoms, which are split into two parts with a major component of 0.898 (4). In the crystal, the organic molecules and lattice water molecules are linked via O—H...O, O—H...N and N—H...O hydrogen bonds. The molecules are also linked by C—H...π and weak offset π–π stacking interactions, forming sheets parallel to (001).

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