scholarly journals N-Acetyl-N-[2,4-dicyano-1-(4-methoxyphenyl)-9,10-dihydrophenanthren-3-yl]acetamide

2012 ◽  
Vol 68 (4) ◽  
pp. o1177-o1178 ◽  
Author(s):  
Abdullah M. Asiri ◽  
Hassan M. Faidallah ◽  
Shaeel A. Al-Thabaiti ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Boat Conformation ◽  
Compound C ◽  
Benzene Rings ◽  
Fused Ring ◽  
Fused Ring System

In the title compound, C27H21N3O3, the cyclohexa-1,3-diene ring has a screw-boat conformation, and the fused ring system is folded, the dihedral angle between the outer benzene rings being 27.61 (6)°. TheN-acetylacetamide residue (r.m.s. deviation = 0.0935 Å) has ananticonformation and is essentially perpendicular to the benzene ring to which it is connected [dihedral angle = 89.14 (6)°]; the methoxybenzene group is also twisted out of this ring [dihedral angle = 59.47 (7)°]. The three-dimensional architecture is consolidated by C—H...O and C—H...π interactions.

scholarly journals 2-(2-Amino-4-nitrophenyl)-7-nitro-4H-3,1-benzoxazin-4-one

2014 ◽  
Vol 70 (2) ◽  
pp. o158-o159
Author(s):  
Edward R. T. Tiekink ◽  
James L. Wardell
Keyword(s):  
Benzene Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Torsion Angles ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Fused Ring ◽  
Fused Ring System ◽  
Dimeric Aggregates

In the title compound, C14H8N4O6, the benzoxazin-4-one fused-ring system (r.m.s. deviation = 0.018 Å) is coplanar with the attached benzene ring [dihedral angle = 0.81 (4)°], there being an intramolecular N—H...N hydrogen bond between them. Each nitro group is twisted out of the plane of the attached benzene ring [O—N—C—C torsion angles = 167.94 (11) and 170.38 (11)°]. In the crystal, amine–nitro N—H...O hydrogen bonds lead to centrosymmetric dimeric aggregates that are connected into a three-dimensional architecture by oxazinyl–nitro C—H...O and π–π interactions [inter-centroid distance between the oxazinyl and terminal benzene rings = 3.5069 (7) Å].

scholarly journals 3-[2-(2-Amino-1H-benzo[d]imidazol-1-yl)ethyl]-1,3-oxazolidin-2-one

IUCrData ◽  
2016 ◽  
Vol 1 (12) ◽  
Author(s):  
Abdellatif Bouayyadi ◽  
Ahmed Moussaif ◽  
Abdelhalim Mesfioui ◽  
Mohammed Mzibri ◽  
Mohamed Saadi ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Dimensional Structure ◽  
Benzimidazole Ring ◽  
Compound C ◽  
Fused Ring ◽  
Fused Ring System

In the title compound, C12H14N4O2, the benzimidazole ring is almost planar (r.m.s. deviation = 0.03 Å), with the fused ring system slightly folded at the shared atoms, with a dihedral angle of 3.4 (1)°. The oxazolidinone ring displays a twisted conformation on the –CH2–CH2– bond and its mean plane makes a dihedral angle of 57.4 (1)° with the benzimidazole ring mean plane. In the crystal, molecules are linked by N—H...O and N—H...N hydrogen bonds, forming chains propagating along thea-axis direction. The chains are linked by C—H...O and C—H...N hydrogen bonds, forming a three-dimensional structure, which is reinforced by C—H...π interactions.

scholarly journals 2-(3-Bromo-5-nitro-1H-indazol-1-yl)-1-phenylethanone

IUCrData ◽  
2017 ◽  
Vol 2 (4) ◽  
Author(s):  
Mohammed Boulhaoua ◽  
Mohammed Benchidmi ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Compound C ◽  
Dimensional Network ◽  
Fused Ring ◽  
The Mean ◽  
Fused Ring System

The 5-nitro-1H-indazol-1-yl moiety of the title compound, C15H10BrN3O3, is approximately planar, with the largest deviation from the mean plane being 0.079 (3) Å. The fused-ring system is virtually perpendicular to the mean plane through the 1-phenylethanone group, making a dihedral angle of 89.7 (2)°. In the crystal, pairs of molecules form inversion dimersviaBr...O interactions [3.211 (2) Å]. The dimers are connected by C—H...O and C—H...N non-classical hydrogen bonds, in addition to π–π interactions [intercentroid distance = 3.6411 (12) Å], forming a three-dimensional network.

scholarly journals 2-[1-(1-Oxoindan-2-yl)ethyl]indan-1-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2314-o2314
Author(s):  
Abdullah M. Asiri ◽  
Hassan M. Faidallah ◽  
Khalid A. Alamry ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Orthogonal Relationship ◽  
Compound C ◽  
First Approximation ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Fused Ring

In the title compound, C20H18O2, the fused-ring systems are essentially planar (r.m.s. deviations of the nine fitted atoms = 0.009 and 0.027 Å) and exhibit an orthogonal relationship [dihedral angle = 79.83 (5)°]. To a first approximation, the ketone-O atoms are directed to opposite sides of the molecule. A three-dimensional architecture arises in the crystal packing owing to C—H...O, C—H...π and π–π interactions [between centrosymmetrically related benzene rings with centroid–centroid distance = 3.7647 (10) Å].

scholarly journals Crystal structure of 2-(1,3,7,9-tetramethyl-2,4,6,8-tetraoxo-1,2,3,4,6,7,8,9-octahydropyrido[2,3-d:6,5-d′]dipyrimidin-5-yl)benzamide dimethylformamide hemisolvate

2014 ◽  
Vol 70 (10) ◽  
pp. 213-215
Author(s):  
Armen Ayvazyan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Crystal Symmetry ◽  
Compound C ◽  
Tetragonal Crystal ◽  
Fused Ring ◽  
Fused Ring System

The title compound, C20H18N6O5·0.5C3H7NO, crystallized as a dimethylformamide (DMF) solvate. In the main molecule, the dihedral angle between the pyridodipyrimidine fused-ring system and the benzamide substituent is 82.26 (11)°. In the crystal, the benzamide molecules are linked by N—H...O hydrogen bonds to generate tetramers with an approximate square-prismatic shape, which appears to correlate with the tetragonal crystal symmetry. The DMF molecule is disordered about a crystallographic twofold axis and accepts a C—H...O interaction from the benzamide molecule.

scholarly journals 6-(3,4-Difluorophenyl)-7,8,13,14-tetrahydrodibenzo[c,k]phenanthridine

IUCrData ◽  
2020 ◽  
Vol 5 (9) ◽  
Author(s):  
Yiwen Fang ◽  
Bingbing Liu ◽  
Zhixiang Jia
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyridine Ring ◽  
Ring System ◽  
Compound C ◽  
Fused Ring ◽  
Fused Ring System

In the title compound, C27H19F2N, the five-fused-ring system is highly puckered and the dihedral angle between the central pyridine ring and pendant difluorobenzene ring is 45.12 (12)°. In the crystal, inversion dimers linked by pairwise weak C—H...N hydrogen bonds generate R 2 2(12) loops and the dimers are further linked by weak C—H...F interactions to form [\overline{1}01] chains.

scholarly journals 1-(12-Bromododecyl)-5-chloroindoline-2,3-dione

IUCrData ◽  
2016 ◽  
Vol 1 (6) ◽  
Author(s):  
Zineb Tribak ◽  
Youssef Kandri Rodi ◽  
Amal Haoudi ◽  
El Mokhtar Essassi ◽  
Fréderic Capet ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Compound C ◽  
Fused Ring ◽  
Plane Passing ◽  
The Mean ◽  
Fused Ring System

In the structure of the title compound, C20H27BrClNO2, the 5-chloroindoline-2,3-dione ring system is approximately planar, the largest deviation from the mean plane being 0.0237 (10) Å. The mean plane through the fused-ring system makes a dihedral angle of 61.00 (18)° with the mean plane passing through the 1-dodecyl chain. All C atoms of the dodecyl group adopt the planar zigzag arrangement normally observed inn-alkane compounds. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming chains parallel to thebaxis.

scholarly journals Ethyl 2-[6-(4-methylbenzoyl)-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl]-2-oxoacetate

2013 ◽  
Vol 69 (12) ◽  
pp. o1730-o1730
Author(s):  
Jia-liang Zhong ◽  
Wen-xia Sun ◽  
Fu-li Zhang ◽  
Li-hong Liu ◽  
He Liu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Fused Ring ◽  
Fused Ring System

In the title compound, C25H23NO4, the pyrrolizine ring is approximately planar with an r.m.s deviation from planarity of 0.0053 Å, while the fused dihydropyrrolizine ring adopts an envelope conformation with the C atom connected to two CH2as the flap. The dihedral angles between the fused ring system and the phenyl and methylbenzoyl rings are 41.65 (11) and 66.30 (8)°, respectively. In the crystal, weak C—H...O hydrogen bonds and C—H...π interactions occur. One molecule is linked to five adjacent ones through eight hydrogen bonds, forming a three-dimensional network.

2-(2-Ethoxyphenyl)-1H-benzimidazole monohydrate

2007 ◽  
Vol 63 (11) ◽  
pp. o4208-o4208
Author(s):  
Gabriel Navarrete-Vázquez ◽  
Hermenegilda Moreno-Diaz ◽  
Samuel Estrada-Soto ◽  
Hugo Tlahuext
Keyword(s):  
Hydrogen Bonding ◽  
Water Molecule ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Benzimidazole Ring ◽  
Compound C ◽  
Benzene Rings ◽  
Hydrogen Bonding Network

In the title compound, C15H14N2O·H2O, the dihedral angle between the benzimidazole ring system and the benzene ring is 6.74 (18)°. The water molecule takes part in the hydrogen-bonding network (N...H—O—H...N), connecting neighboring benzimidazole molecules. The packing is further stabilized by a π–π interaction between two adjacent benzimidazole ring systems, with a distance between the centroids of the benzene rings of 3.8315 (12) Å.

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.

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