scholarly journals Crystal structure of triethyl 2-(5-nitro-2H-indazol-2-yl)propane-1,2,3-tricarboxylate

2015 ◽  
Vol 71 (10) ◽  
pp. o780-o781 ◽  
Author(s):  
Mohammed Boulhaoua ◽  
Mohammed Benchidmi ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Site Occupancy ◽  
Maximum Deviation ◽  
Compound C ◽  
Carboxylate Groups ◽  
Dimensional Network ◽  
Fused Ring ◽  
The Mean ◽  
Fused Ring System

In the title compound, C19H23N3O8, the 5-nitro-2H-indazol-2-yl unit is almost planar, with the maximum deviation from the mean plane being 0.024 (2) Å. The fused-ring system is nearly perpendicular to the three carboxylate groups, with dihedral angles of 90.0 (3), 83.8 (1) and 80.4 (1)°. The ethyl groups attached to both ends of the propane chain are each disordered over two sets of sites, with site-occupancy ratios of 0.425 (17):0.575 (17) and 0.302 (15):0.698 (15). In the crystal, molecules are linked by pairs of C—H...N hydrogen bonds, forming inversion dimers. The dimers are further linked by C—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals 1-Methyl-2-methylsulfanyl-6-nitro-1H-benzimidazole

2014 ◽  
Vol 70 (4) ◽  
pp. o407-o407 ◽  
Author(s):  
Mohamed El Ghozlani ◽  
El Mostapha Rakib ◽  
Abdelouahid Medaghri-Alaoui ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Ring System ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Fused Ring ◽  
Plane Passing ◽  
The Mean ◽  
Fused Ring System

The molecule of the title compound, C9H9N3O2S, is built up from fused five- and six-membered rings connected to methylsulfanyl and nitro groups, respectively. The mean plane through the fused ring system is inclined slightly relative to the plane passing through the nitro group [dihedral angle = 3.6 (2)°]. In the crystal, molecules are linked by C—H...O hydrogen bonds and π–π interactions between imidazole rings [inter-centroid distance = 3.667 (3) Å], forming a three-dimensional network.

scholarly journals 1-Dodecylindoline-2,3-dione

2014 ◽  
Vol 70 (2) ◽  
pp. o229-o229 ◽  
Author(s):  
Fatima-Zahrae Qachchachi ◽  
Fouad Ouazzani Chahdi ◽  
Houria Misbahi ◽  
Michael Bodensteiner ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Compound C ◽  
Dimensional Network ◽  
Fused Ring ◽  
Plane Passing ◽  
The Mean ◽  
Fused Ring System

The structure of the title compound, C20H29NO2, is isotypic to that of its homologue 1-octylindoline-2,3-dione. The indoline ring and the two carbonyl-group O atoms are approximately coplanar, the largest deviation from the mean plane being 0.0760 (10) Å. The mean plane through the fused-ring system is nearly perpendicular to the mean plane passing through the 1-dodecyl chain [dihedral angle = 77.69 (5)°]. All C atoms of the dodecyl group are in an antiperiplanar arrangement. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals 1-Octylindoline-2,3-dione

2013 ◽  
Vol 69 (12) ◽  
pp. o1801-o1801 ◽  
Author(s):  
Fatima-Zahrae Qachchachi ◽  
Youssef Kandri Rodi ◽  
El Mokhtar Essassi ◽  
Werner Kunz ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Compound C ◽  
Dimensional Network ◽  
Fused Ring ◽  
Plane Passing ◽  
The Mean ◽  
Fused Ring System

In the title compound, C16H21NO2, the indoline ring and the two ketone O atoms are approximately coplanar, the largest deviation from the mean plane being 0.063 (2) Å. The mean plane through the fused ring system is nearly perpendicular to the mean plane passing through the 1-octyl chain [dihedral angle = 77.53 (17)°]. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming a three-dimensional network.

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 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 (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 (±)-4,12,15,18,26-Pentahydroxy-13,17-dioxaheptacyclo[14.10.0.03,14.04,12.06,11.018,26.019,24]hexacosa-1,3(14),6(11),7,9,15,19,21,23-nonaene-5,25-dione methanol disolvate

2014 ◽  
Vol 70 (5) ◽  
pp. o506-o506 ◽  
Author(s):  
Maayan Gil ◽  
Joseph Almog ◽  
Faina Dubnikova ◽  
Benny Bogoslavski ◽  
Shmuel Cohen
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Ring System ◽  
Dihedral Angles ◽  
Supramolecular Architecture ◽  
Ring Systems ◽  
Compound C ◽  
Fused Ring ◽  
The Mean ◽  
Fused Ring System

The title compound, C24H14O9·2CH3OH, displays a chair-shaped form. The two dihydroindenone ring systems are located above and below the central fused-ring system, the dihedral angles between the mean planes of dihydroindenone ring systems and the mean plane of central fused-ring system are 67.91 (5) and 73.52 (4)°, respectively. In the crystal, extensive O—H...O hydrogen bonds, weak C—H...O hydrogen bonds and C—H...π interactions link the molecules into a three-dimensional supramolecular architecture.

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 Crystal structure of 3-(hydroxymethyl)chromone

2015 ◽  
Vol 71 (7) ◽  
pp. o495-o495 ◽  
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Heterocyclic Ring ◽  
Ring System ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Fused Ring ◽  
Fused Ring System

In the title compound, C10H8O3(systematic name 3-hydroxymethyl-4H-chromen-4-one), the fused-ring system is slightly puckered [dihedral angle between the rings = 3.84 (11)°]. The hydroxy O atom deviates from the heterocyclic ring by 1.422 (1) Å. In the crystal, inversion dimers linked by pairs of O—H...O hydrogen bonds generateR22(12) loops. The dimers are linked by aromatic π–π stacking [shortest centroid–centroid distance = 3.580 (3) Å], and C—H...O hydrogen bonds, generating a three-dimensional network.

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