{5-[4′-(2,2,5,5-Tetramethyl-3-pyrroline-1-oxyl-3-carbonyl)biphenyl-4-ylethynyl]-2,3,7,8,12,13,17,18-octaethylporphyrinato}copper(II) benzene solvate

2006 ◽  
Vol 62 (7) ◽  
pp. m1609-m1610 ◽  
Author(s):  
Michael Bolte
Keyword(s):  
Title Compound ◽  
Ring System ◽  
Porphyrin Ring ◽  
Compound C ◽  
Benzene Solvate ◽  
Solvent Molecules

The title compound, C59H64CuN5O3·C6H6, features an essentially planar porphyrin ring system, with the Cu atom located in the plane and showing equal Cu—N distances. The space between the molecules is occupied by benzene solvent molecules.

scholarly journals 4-(4-Amino-2-fluorophenoxy)-7-methoxyquinazolin-6-ol methanol monosolvate

2012 ◽  
Vol 68 (4) ◽  
pp. o1149-o1149 ◽  
Author(s):  
Wei Huang ◽  
Aimin Tan
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Compound C ◽  
Solvent Molecules

In the title compound, C15H12FN3O3·CH3OH, the dihedral angle between the quinazoline ring system and the benzene ring is 81.18 (9)°. In the crystal, molecules are linked by N—H...O and O—H...N hydrogen bonds, generating [10-1] chains of alternating main molecules and solvent molecules. Weak C—H...O interactions are also observed.

scholarly journals 3-[2-(9H-Carbazol-9-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5(4H)-thione dimethyl sulfoxide monosolvate

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Talaat I. El-Emary ◽  
Mustafa R. Albayati
Keyword(s):  
Hydrogen Bonds ◽  
Dimethyl Sulfoxide ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Fractional Contribution ◽  
Compound C ◽  
Two Component ◽  
Solvent Molecules ◽  
Minor Domain

In the title compound, C22H18N4S·C2H6OS, the central triazolethione ring is inclined to the carbazole ring system by 13.97 (18)° and to the phenyl ring by 66.4 (1)°. The lattice solvent, dimethyl sulfoxide, is strongly hydrogen bonded to the triazolethione ring. In the crystal, the main molecules form columns parallel to theaaxis, with the solvent molecules located between the columns. C—H...S hydrogen bonds and C—H...π(ring) interactions link adjacent columns. The crystal studied was refined as a two-component twin, with a fractional contribution to the minor domain of 0.0742 (14).

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].

2,4-Diphenyl-2-(trimethylsilyloxy)-3-dihydro-2H,5H-pyrano[3,2-c][1]benzopyran-5-one

2006 ◽  
Vol 62 (4) ◽  
pp. o1397-o1398
Author(s):  
Yun Liu ◽  
Yong-Miao Shen ◽  
Zhe Li ◽  
Jian-Hua Xu
Keyword(s):  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Pyran Ring ◽  
Compound C ◽  
Coumarin Ring

In the title compound, C27H26O4Si, the coumarin ring system is essentially planar and the pyran ring adopts a half-chair conformation.

scholarly journals Crystal structure of 5,10,15-triphenyl-20-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)porphyrin

2014 ◽  
Vol 70 (10) ◽  
pp. o1085-o1086
Author(s):  
Mathias O. Senge ◽  
Hans-Georg Eckhardt
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Central Region ◽  
Title Compound ◽  
Ring System ◽  
Compound C ◽  
Porphyrin Macrocycle ◽  
Phenyl Rings ◽  
Supramolecular Chains

In the title compound, C44H37BN4O2, the dihedral angle between the plane of the porphyrin macrocycle ring system [r.m.s. deviation = 0.159 (1) Å] and those of three phenyl rings are 66.11 (4), 74.75 (4) and 57.00 (4)°. The conformational distortion is characterized by a mixture of ruffled, saddle and in-plane distortion modes. In the crystal, the porphyrin molecules are linked by C—H...π interactions into supramolecular chains running along thea-axis direction. A pair of bifurcated N—H...(N,N) hydrogen bonds occur across the central region of the macrocycle.

scholarly journals 6-Amino-3-methyl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

2014 ◽  
Vol 70 (8) ◽  
pp. o875-o876 ◽  
Author(s):  
Naresh Sharma ◽  
Goutam Brahmachari ◽  
Bubun Banerjee ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Ring System ◽  
Boat Conformation ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

In the title compound, C17H18N4O4, the dihedral angle between the benzene ring and 2,4-dihydropyrano[2,3-c]pyrazole ring system is 89.41 (7)°. The pyran moiety adopts a strongly flattened boat conformation. In the crystal, molecules are linked by N—H...N, N—H...O, C—H...N and C—H...O hydrogen bonds into an infinite two-dimensional network parallel to (110). There are π–π interactions between the pyrazole rings in neighbouring layers [centroid–centroid distance = 3.621 (1) Å].

scholarly journals Crystal structure ofN1-phenyl-N4-[(quinolin-2-yl)methylidene]benzene-1,4-diamine

2014 ◽  
Vol 70 (9) ◽  
pp. o905-o906 ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Ashraf Mashrai ◽  
Saleem Garandal ◽  
M. Shahid
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Phenyl Ring ◽  
Bond Angle ◽  
Ring System ◽  
Dihedral Angles ◽  
Quinoline Ring ◽  
Compound C

In the title compound, C22H17N3, the dihedral angles between the central benzene ring and the terminal phenyl ring and quinoline ring system (r.m.s. deviation = 0.027 Å) are 44.72 (7) and 9.02 (4)°, respectively, and the bond-angle sum at the amine N atom is 359.9°. In the crystal, the N—H group is not involved in hydrogen bonding and the molecules are linked by weak C—H...π interactions, generating [010] chains.

scholarly journals 3,4-Dimethylphenyl quinoline-2-carboxylate

2013 ◽  
Vol 69 (12) ◽  
pp. o1853-o1854 ◽  
Author(s):  
E. Fazal ◽  
Manpreet Kaur ◽  
B. S. Sudha ◽  
S. Nagarajan ◽  
Jerry P. Jasinski
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Ring System ◽  
Carboxylate Group ◽  
Quinoline Ring ◽  
Compound C ◽  
The Mean

In the title compound, C18H15NO2, the dihedral angle between the mean planes of the quinoline ring system and the phenyl ring is 48.1 (5)°. The mean plane of the carboxylate group is twisted from the mean planes of the latter by 19.8 (8) and 64.9 (5)°, respectively. The crystal packing features weak C—H...O interactions, which form chains along [010].

scholarly journals 2-Thioureido-1H-benzimidazol-3-ium chloride monohydrate

2014 ◽  
Vol 70 (5) ◽  
pp. o553-o553
Author(s):  
C. N. Sundaresan ◽  
Dheeraj Kumar Singh ◽  
Jagadeesh Babu Nanubolu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Water Molecules ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
The Mean ◽  
Chloride Monohydrate

In the title compound, C8H9N4S+·Cl−·H2O, the cation is approximately planar, with a dihedral angle of 7.71 (8)° between the mean planes of the benzoimidazole ring system and the thiourea unit. In the crystal, cations, anions and water molecules of crystallization are linked by O—H...Cl, N—H...O, N—H...Cl and N—H...S hydrogen bonds into a three-dimensional network. π–π stacking is observed between the benzene and imidazole rings of neighbouring molecules, the centroid–centroid distance being 3.5774 (11) Å.

scholarly journals 5-Bromo-1-(6-bromohexyl)indoline-2,3-dione

IUCrData ◽  
2016 ◽  
Vol 1 (6) ◽  
Author(s):  
Yassine Kharbach ◽  
Youssef Kandri Rodi ◽  
Amal Haoudi ◽  
El Mokhtar Essassi ◽  
Frédéric Capet ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Plane Passing ◽  
The Mean

In the title compound, C14H15Br2NO2, the dihedral angle between the mean plane passing through the bromohexyl chain and the 5-bromoindoline ring system (r.m.s. deviation = 0.044Å) is 70.0 (3)°. In the crystal, molecules are connected by C—H...O hydrogen bonds, generating zigzag chains propagating along [010]. The packing is also influenced by inter-chain π–π interactions which form layers parallel to theabplane [centroid–centroid distances = 3.765 (2) Å].

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