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 (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 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-[(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 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 5-chloro-1,3-bis[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1H-benzimidazol-2(3H)-one

2015 ◽  
Vol 71 (10) ◽  
pp. o735-o736 ◽  
Author(s):  
Kaoutar Bouayad ◽  
Youssef Kandri Rodi ◽  
Youness Ouzidan ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Ring System ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Compound C ◽  
Fused Ring ◽  
The Mean ◽  
Fused Ring System ◽  
Cl Atom

In the title compound, C17H19ClN4O5, the benzimidazole fused-ring system is essentially planar, the maximum deviation from the mean plane being 0.06 (1) Å. Both oxazolidine rings are nearly planar, the maximum deviations from the mean planes are 0.071 (13) and 0.070 (10) Å. The dihedral angle between the mean planes of the oxazolidine rings is 69.9 (7)°. The benzimidazole mean plane makes the dihedral angles of 43.9 (6) and 45.6 (6)° with the two oxazolidine rings. In the crystal, the molecules are linked together by weak C—H...O hydrogen bonds building zigzag tapes running along thecaxis. The Cl atom is split over two positions with an occupancy ratio of 0.567 (7):0.433 (7). This means that the reaction yields two isomers,AandB; theAcomponent has the Cl-atom substituent in the 5-position of the benzimidazolone ring and theBcomponent has the Cl atom in the 6-position. The two isomers form the disordered co-crystal, with a nearly half Cl atom in each of them, as indicated by the occupancy ratio. The crystal structure was refined as an inversion twin.

scholarly journals Crystal structure of 3-(4,4-difluoro-5,7-dimethyl-4-bora-3a,4a-diaza-s-indacen-3-yl)propanoic acid

2017 ◽  
Vol 73 (12) ◽  
pp. 1974-1976
Author(s):  
Takuma Kato ◽  
Mitsunobu Doi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Acid Group ◽  
Ring System ◽  
Maximum Deviation ◽  
Compound C ◽  
Boron Dipyrromethene ◽  
Fused Ring ◽  
The Mean ◽  
Fused Ring System

The crystal structure of the title compound, C14H15BF2N2O2, which comprises a boron–dipyrromethene (BODIPY) backbone and a propionic acid group, has been determined at 100 K. The BODIPY fused-ring system is nearly planar, with a maximum deviation from the mean plane of 0.032 (2) Å. In the crystal, pairs of O—H...O hydrogen bonds connect the molecules, forming inversion dimers. The dimers are linkedviaC—H...O hydrogen bonds, forming a tape along theaaxis. The tapes are stacked along thecaxis through C—H...F hydrogen bonds and π–π interactions.

scholarly journals Crystal structure of cyprodinil

2015 ◽  
Vol 71 (1) ◽  
pp. o5-o5 ◽  
Author(s):  
Youngeun Jeon ◽  
Gihaeng Kang ◽  
Seonghwa Cho ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Phenyl Ring ◽  
Cyclopropane Ring ◽  
Pyrimidine Ring ◽  
Ring System ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
The Mean

In the title compound, C14H15N3(systematic name: 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine), which is the anilinopyrimidine fungicide cyprodinil, the dihedral angles between the planes of the central pyrimidine ring and the terminal phenyl ring and the mean plane of the cyclopropane ring system are 14.52 (11) and 88.79 (10)°, respectively. In the crystal, weak π–π interactions [3.8551 (11) Å] connect the dimers into chains along theb-axis direction.

scholarly journals Crystal structure of ethyl 2-amino-4-(4-chlorophenyl)-4H-1-benzothieno[3,2-b]pyran-3-carboxylate

2015 ◽  
Vol 71 (8) ◽  
pp. o619-o620
Author(s):  
Mohamed Bakhouch ◽  
Asmae Mahfoud ◽  
Mohamed El Yazidi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Ring System ◽  
The Other ◽  
Bond Forming ◽  
Compound C ◽  
Fused Ring ◽  
The Mean ◽  
Fused Ring System ◽  
Ring Motif

The title compound, C20H16ClNO3S, is built up from three fused rings, one five- and two six-membered rings, linked to a 3-ethoxycarbonyl group and to a 4-chlorophenyl ring. The hydropyran ring has a flattened envelope conformation, with the C atom substituted by the 4-chlorophenyl ring as the flap (displaced by 0.077 (2) Å from the plane through the other atoms). The fused three-ring system is quasi-planar (r.m.s. deviation = 0.057 Å), with the largest deviation from the mean plane being 0.106 (1) Å for the C atom substituted by the 4-chlorophenyl ring. The 4-chlorophenyl ring is approximately perpendicular to the mean plane of the fused ring system, as indicated by the dihedral angle of 77.32 (6)° between their mean planes. There is an intramolecular N—H...O hydrogen bond forming anS(6) ring motif. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with anR22(12) ring motif. There are also short intermolecular Cl...O interactions present [3.1226 (12) Å] between neighbouring molecules.

scholarly journals Crystal structure of dimethyl 1-oxo-2,4-diphenyl-1,2-dihydronaphthalene-2,3-dicarboxylate

2018 ◽  
Vol 74 (3) ◽  
pp. 349-351
Author(s):  
Gajendran Jagadeesan ◽  
Immanuel Monica Chandramalar ◽  
Jayachandran Karunakaran ◽  
Solaiappan Gopinath ◽  
Arasambattu K. Mohanakrishnan
Keyword(s):  
Crystal Structure ◽  
Chair Conformation ◽  
Ring System ◽  
The Other ◽  
Dihedral Angles ◽  
Compound C ◽  
Centroid Distance ◽  
Phenyl Rings ◽  
The Mean ◽  
Ring Motif

In the title compound, C26H20O5, a 1,2-dihydronaphthalene derivative, the cyclohexa-1,3-diene ring of the 1,2-dihydronaphthalene ring system adopts a half-chair conformation. The mean plane of the 1,2-dihydronapthalene ring system makes dihedral angles of 86.23 (6) and 64.80 (7)° with two phenyl rings. The carbonyl O atom attached to the dihydronaphthalene ring system deviates from the mean plane of the 1,2-dihydronaphthalene ring system by 0.618 (1) Å. In the crystal, the molecules are linked into layers parallel to thebcplaneviatwo kinds of C—H...O interactions, one of which forms aC(10) chain motif running along thec-axis direction and the other forms anR22(6) ring motif. Adjacent layers are further connected by C—H...π and offset π–π interactions [centroid–centroid distance = 3.6318 (9) Å].

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