scholarly journals 9,9-Diethyl-7-ethynyl-N,N-diphenyl-9H-fluoren-2-amine

IUCrData ◽  
2016 ◽  
Vol 1 (12) ◽  
Author(s):  
J. J. Novina ◽  
G. Vasuki ◽  
Prachi Singh ◽  
K. R. Justin Thomas
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Compound C ◽  
Fused Ring ◽  
Phenyl Rings ◽  
Fused Ring System

In the title compound, C31H27N, the fluorene unit is approximately planar (r.m.s deviation = 0.0255 Å). The dihedral angles between the fluorene fused ring system and two phenyl rings are 88.37 (5) and 66.31 (6)°. Weak intermolecular C—H...π(ring) interactions help to stabilize the crystal structure.

scholarly journals Crystal structure of 1,5-diethyl-3′,5′-diphenyl-1,5-dihydro-3′H-spiro[pyrazolo[3,4-d]pyrimidine-4,2′-[1,3,4]thiadiazole]

2015 ◽  
Vol 71 (10) ◽  
pp. o769-o770 ◽  
Author(s):  
Mohammed El Fal ◽  
Youssef Ramli ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Fused Ring ◽  
Phenyl Rings ◽  
Thiadiazole Ring ◽  
Fused Ring System

In the title compound, C22H22N6S, the pyrazolo[3,4-d]pyrimidine rings system is almost planar, with the r.m.s. deviation for the fitted atoms being 0.011 Å. The two phenyl groups linked to the thiadiazole ring are nearly perpendicular to the fused-ring system as indicated by the dihedral angles of 86.93 (10) and 83.35 (11)°. However, the phenyl rings are almost coplanar with the thiadiazole ring (r.m.s. deviation = 0.015 Å), forming dihedral angles of 10.44 (11) and 10.06 (12)°. In the crystal, molecules are connected into a supramolecular layer in theacplaneviaC—H...π interactions.

scholarly journals Crystal structure of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(thiazol-4-yl)-1H-benzimidazole

2015 ◽  
Vol 71 (12) ◽  
pp. o951-o952 ◽  
Author(s):  
Hicham Gueddar ◽  
Rachid Bouhfid ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Benzimidazole Ring ◽  
Compound C ◽  
Fused Ring ◽  
The Mean ◽  
Fused Ring System

The benzimidazole ring in the title compound, C16H17N3O2S, is almost planar, with the greatest deviation from the mean plane being 0.032 (1) Å. The fused-ring system makes dihedral angles of 19.91 (7) and 24.51 (8)° with the best plane through each of the thiazol-4-yl and 1,3-dioxolan-4-yl rings, respectively; the latter exhibits an envelope conformation with the methylene C atom being the flap. Finally, the thiazol-4-yl ring makes a dihedral angle of 33.85 (9)° with the 1,3-dioxolan-4-yl ring. In the crystal, molecules are connected by a pair of C—H...π(imidazole) interactions to form centrosymmetric aggregates.

scholarly journals 7-Benzyl-3-(4-fluorophenyl)-2-propylamino-5,6,7,8-tetrahydropyrido[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one

2012 ◽  
Vol 68 (4) ◽  
pp. o1097-o1097 ◽  
Author(s):  
Hai-Jun Hu ◽  
Hong Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Compound C ◽  
Fused Ring ◽  
Fused Ring System

In the title compound, C25H25FN4OS, the thienopyrimidine fused-ring system is close to planar (r.m.s. deviation = 0.0089 Å), with a maximum deviation of 0.0261 (17) Å for the N atom adjacent to the benzene ring. This thienopyrimidine fused-ring system forms dihedral angles of 64.73 (3) and 81.56 (5)° with the adjacent benzyl and fluorophenyl rings, respectively. Intermolecular N—H...F and C—H...F hydrogen bonding, as well as C—F...π interactions [F...centroid = 3.449 (3) Å; C—F...centroid = 91.87 (15)°], help to stabilize the crystal structure.

scholarly journals The crystal structure of 1,5-dibenzyl-1H-pyrazolo[3,4-d]pyrimidine-4(5H)-thione

2015 ◽  
Vol 71 (2) ◽  
pp. o95-o96 ◽  
Author(s):  
Mohammed El Fal ◽  
Youssef Ramli ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Pyrimidine Ring ◽  
Ring System ◽  
Dihedral Angles ◽  
Compound C ◽  
Fused Ring ◽  
Phenyl Rings ◽  
The Mean ◽  
Fused Ring System ◽  
Supramolecular Chains

In the title compound, C19H16N4S, the pyrazolo[3,4-d]pyrimidine ring is close to being planar, with the greatest deviation from the mean plane being 0.023 (2) Å for the C atom bearing the thione S atom. The two phenyl rings are nearly perpendicular to the fused ring system [dihedral angles = 71.4 (2) and 78.1 (2)°], but are oriented in opposite directions; the dihedral angle between the phenyl rings is 32.22 (16)°. In the crystal, linear supramolecular chains along [101] are sustained by C—H...S interactions.

scholarly journals Crystal structure of (3S*,4S*,4aS*,5R*,6R*,6aS*,7R*,11aS*,11bR*)-5,6-bis(benzoyloxy)-3,4a-dihydroxy-4,7,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-4-carboxylic acid methanol monosolvate

2015 ◽  
Vol 71 (10) ◽  
pp. o739-o740
Author(s):  
Sadaf Siddiqui ◽  
Osayemwenre Erharuyi ◽  
Abiodun Falodun ◽  
M. Iqbal Choudhary ◽  
Sammer Yousuf
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Carboxylic Acid ◽  
Ring System ◽  
Dihedral Angles ◽  
Compound C ◽  
Fused Ring ◽  
Phenyl Rings ◽  
The Mean ◽  
Fused Ring System

The title compound, C34H36O9·CH3OH, is a diterpenoid isolated from the roots ofCaesalpinia pulcherrima(L.) Swartz. The threetrans-fused six-membered rings are in chair, chair and half-chair conformations. The mean plane of this fused-ring system makes dihedral angles of 67.95 (15) and 83.72 (14)° with the two phenyl rings of the benzoyloxy groups. An intramolecular C—H...O hydrogen bond is observed. In the crystal, molecules are linkedviaO—H...O hydrogen bonds, forming an infinite chain along theb-axis direction.

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 (E)-2-Phenyl-N-(thiophen-2-ylmethylidene)imidazo[1,2-a]pyridin-3-amine

IUCrData ◽  
2016 ◽  
Vol 1 (5) ◽  
Author(s):  
Abdelmalik Elaatiaoui ◽  
Fouad Elkalai ◽  
Noureddine Benchat ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Three Dimensional ◽  
Ring System ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Fused Ring ◽  
Phenyl Rings ◽  
The Mean ◽  
Fused Ring System

The asymmetric unit of the title compound, C18H13N3S, is build up from two independent molecules slightly inclined to each other. In each molecule, the imidazo[1,2-a]pyridine ring system is almost planar, with the largest deviation from the mean plane being 0.022 (1) Å in the first molecule and 0.018 (1) Å in the second molecule. The fused-ring system belonging to the first molecule makes dihedral angles of 24.06 (7) and 40.52 (8)° with the thiophenyl and phenyl rings, respectively. The corresponding values observed in the second molecule are nearly the same, namely 25.20 (7) and 38.99 (7)°, respectively. The dihedral angle between the thiophenyl and phenyl rings is 63.47 (9)° in the first molecule and 47.49 (9)° in the second. The cohesion of the crystal structure is ensured by two C—H...N hydrogen bonds between molecules and by three C—H...π interactions, forming a three-dimensional network.

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.

scholarly journals Crystal structure of (E)-N-(3,3-diphenylallylidene)-9-ethyl-9H-carbazol-3-amine

2015 ◽  
Vol 71 (4) ◽  
pp. 418-420 ◽  
Author(s):  
Kannan Thirumurthy ◽  
Ganesamoorthy Thirunarayanan ◽  
S. Murugavel
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Dihedral Angles ◽  
Supramolecular Network ◽  
Imine Group ◽  
Compound C ◽  
Phenyl Rings ◽  
The Mean

In the title compound, C29H24N2, the C=N bond of the central imine group adopts anEconformation. The dihedral angles between the mean plane of the essentially planar carbazole ring system [r.m.s. deviation = 0.039 (2) Å] and the two phenyl rings of the 3,3-diphenylallylidene unit are 75.9 (1) and 64.6 (1)°. In the crystal, molecules are linked by C—H...π interactions, forming a three-dimensional supramolecular network.

scholarly journals Crystal structure of 2,9-diphenyl-17λ6-thiatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene-17,17-dione

2014 ◽  
Vol 70 (9) ◽  
pp. o1013-o1014
Author(s):  
S. Gopinath ◽  
P. Narayanan ◽  
K. Sethusankar ◽  
Meganathan Nandakumar ◽  
Arasambattu K. Mohanakrishnan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Dimensional Structure ◽  
Dihedral Angles ◽  
Naphthalene Ring ◽  
Compound C ◽  
Phenyl Rings

The title compound, C28H18O2S, is composed of a naphthalene ring system fused with a benzothiophene ring and attached to two phenyl rings. The phenyl rings make dihedral angles of 70.92 (8) and 79.23 (8)° with the essentially planar naphthalene ring system (r.m.s. deviation = 0.031 Å). There is an intramolecular C—H...π interaction present. In the crystal, molecules are linked by C—H...O hydrogen bonds which generateC(7) zigzag chains running parallel to [10-1]. The chains are linkedviafurther C—H...π interactions, forming a three-dimensional structure.

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