scholarly journals 3β-Chloro-6-[2-(2-cyanoacetyl)hydrazin-1-ylidene]-5α-cholestane

2012 ◽  
Vol 68 (4) ◽  
pp. o1056-o1057 ◽  
Author(s):  
Samina Khan Yusufzai ◽  
Hasnah Osman ◽  
Aisyah Saad Abdul Rahim ◽  
Suhana Arshad ◽  
Ibrahim Abdul Razak
Keyword(s):  
Title Compound ◽  
Cyano Group ◽  
Asymmetric Unit ◽  
Ring Systems ◽  
Axis Direction ◽  
Compound C ◽  
Fused Ring

The asymmetric unit of the title compound, C30H48ClN3O, contains two molecules,AandB. In both molecules, the three cyclohexane rings in the steroid fused ring systems adopt chair conformations, while the cyclopentane rings adopt envelope and twist conformations in moleculesAandB, respectively. In moleculeB, the cyano group is disordered over two orientations with refined site-occupancies of 0.593 (8) and 0.407 (8). An intramolecular C—H...N interaction forms anS(10) ring in both molecules. In the crystal, molecules are linked by N—H...O, C—H...O and C—H...N interactions, resulting is chains propagating along thea-axis direction.

scholarly journals 4-(4-Bromophenyl)-2-(3-(4-chlorophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1-phenyl-1H-pyrazol-4-yl}-4,5-dihydro-1H-pyrazol-1-yl)-1,3-thiazole

IUCrData ◽  
2018 ◽  
Vol 3 (3) ◽  
Author(s):  
Gamal A. El-Hiti ◽  
Bakr F. Abdel-Wahab ◽  
Rizk E. Khidre ◽  
Mohamed S. Mostafa ◽  
Amany S. Hegazy ◽  
...  
Keyword(s):  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Asymmetric Unit ◽  
Ring Systems ◽  
Axis Direction ◽  
Compound C

The asymmetric unit of the title compound, C37H28BrClN8S, comprises one molecule. The molecule consists of two ring systems joined by a C—C bond between the dihydropyrazolyl and pyrazolyl rings of the two extended ring systems. The angles between adjacent ring planes of the tolyl–triazolyl–pyrazolyl–phenyl ring system are 48.2 (1), 12.3 (2) and 22.2 (2)°, respectively, with angles of 19.7 (1), 5.6 (2) and 0.9 (2)° between the rings of the chlorophenyl–thiazolyl–dihydropyrazolyl–bromophenyl set. The pyrazolyl and dihydropyrazolyl rings are inclined at 68.3 (1)° to one another. In the crystal, C—H...Cl interactions form chains of molecules parallel to theb-axis direction.

scholarly journals (R*)-1-Benzyl-3-(2-hydroxyphenyl)indoline-2-one

IUCrData ◽  
2017 ◽  
Vol 2 (8) ◽  
Author(s):  
Srinivasan Bargavi ◽  
Siddan Gouthaman ◽  
Madurai Sugunnalakshmi ◽  
Srinivasakannan Lakshmi
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Indole Ring ◽  
Asymmetric Unit ◽  
Ring Systems ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules

The title compound, C21H17NO2, crystallizes with two independent molecules (AandB) in the asymmetric unit. The indoline ring system is almost planar in both molecules (r.m.s. deviations = 0.020 and 0.024 Å for moleculesAandB, respectively). The benzyl and phenol rings are inclined to the indole ring system by 80.39 (12) and 68.39 (12)° in moleculeA, and by 79.90 (13) and 74.88 (10)° in moleculeB. The aryl rings are inclined to one another by 33.30 (14) and 30.62 (14)° in moleculesAandB, respectively. In the crystal,Amolecules are linked by pairs of O—H...O hydrogen bonds, forming inversion dimers. The same situation is observed for theBmolecules and both sets of inversion dimers encloseR22(14) ring motifs. These dimers stack along thea-axis direction and are linked by offset π–π interactions [intercentroid distance = 3.6802 (13) Å] involvingAandBindole ring systems, forming layers parallel to theabplane.

scholarly journals 5-(4-Fluorophenyl)-2-(4-methylphenyl)-3-methylsulfanyl-1-benzofuran

2014 ◽  
Vol 70 (3) ◽  
pp. o258-o258
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Ring Systems ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Independent Molecules

The asymmetric unit of the title compound, C22H17FOS, contains two independent molecules (AandB). The dihedral angles between the benzofuran ring systems [r.m.s. deviations of 0.026 (1), 0.004 (1) and 0.003 (1) Å, respectively, for moleculeA, and 0.002 (1), 0.004 (1) and 0.005 (1) Å forB] and the pendant 4-fluorophenyl and 4-methylphenyl rings are 39.48 (4) and 30.86 (5)°, respectively, for moleculeA, and 33.34 (6) and 20.99 (8)° forB. In the crystal, molecules are linked by weak C—H...F and C—H...π interactions, resulting in a three-dimensional network.

scholarly journals Crystal structure of tetraethyl 27,30-dioxo-7,12,20,25-tetra-tert-butyl-3,16-dioxa-9,22,28,31-tetrathiaheptacyclo[21.3.1.11,5.14,8.110,14.114,18.117,21]dotriaconta-4,6,8(29),10,12,17,19,21(32),23,25-decaene-2,2,15,15-tetracarboxylate

2015 ◽  
Vol 71 (10) ◽  
pp. o778-o779
Author(s):  
Mehmet Akkurt ◽  
Jerry P. Jasinski ◽  
Shaaban K. Mohamed ◽  
Omran A. Omran ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Tert Butyl ◽  
Envelope Conformation ◽  
Compound C ◽  
A Chain

The asymmetric unit of the title compound, C54H64O12S4, consists of one half of the molecule, which is located on an inversion centre. The heterocyclic six-membered ring adopts a distorted envelope conformation with the spiro C atom as the flap. In the crystal, molecules are linked by weak C—H...O hydrogen bonds with anR22(14) motif, forming a chain along theb-axis direction.

scholarly journals 5,5′′-Dibromo-1,1′′-bis(prop-2-en-1-yl)-1,1′′,2,2′′-tetrahydrodispiro[indole-3,7′-[6,9]diazatricyclo[7.3.0.02,6]dodecane-8′,3′′-indole]-2,2′′-dione

2012 ◽  
Vol 68 (6) ◽  
pp. o1638-o1638 ◽  
Author(s):  
Khalil Al Mamari ◽  
Hamid Ennajih ◽  
Rachid Bouhfid ◽  
El Mokhtar Essassi ◽  
Seik Weng Ng
Keyword(s):  
Title Compound ◽  
Chair Conformation ◽  
Piperazine Ring ◽  
Ring Systems ◽  
Compound C ◽  
Fused Ring

In the molecule of the title compound, C30H30Br2N4O2, the piperazine ring adopts a chair conformation. The pyrrolidine rings that are fused to the piperazine ring adopt envelope conformations (in which the N atom represents the flap). The indoline fused-ring systems are nearly planar (r.m.s. deviations = 0.009 and 0.019 Å); the two fused rings are aligned at 60.63 (6)°.

scholarly journals N-Methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide

2014 ◽  
Vol 70 (3) ◽  
pp. o301-o302 ◽  
Author(s):  
Adriano Bof de Oliveira ◽  
Bárbara Regina Santos Feitosa ◽  
Christian Näther ◽  
Inke Jess
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Compound C ◽  
Independent Molecules

There are two independent molecules in the asymmetric unit of the title compound, C12H15N3S, both of which display disorder of several C atoms in the N-bound ring (occupancy ratios of 0.75:0.25 in the first independent molecule and 0.50:0.50 in the second) with the methyl H atoms also being disordered in the first molecule (occupancy ratio of 0.70:0.30). The planes of the benzene ring and the N—N—C—N fragment make dihedral angles of 12.92 (14)° in the first independent molecule and 7.60 (13)° in the second. In the crystal, molecules are linked by weak N—H...S hydrogen bonds into chains along thea-axis direction. The crystal packing ressembles a herringbone arrangement.

scholarly journals 2,2′-Bi(9,9-diethylfluorene)

2014 ◽  
Vol 70 (2) ◽  
pp. o185-o185 ◽  
Author(s):  
Ki-Min Park ◽  
Hankook Oh ◽  
Youngjin Kang
Keyword(s):  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Ring Systems ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules

The title compound, C34H34, systematic name 9,9,9′,9′-tetraethyl-2,2′-bi(9H-fluorene), crystallized with two crystallographically independent molecules (AandB) in the asymmetric unit. These differ mainly in the orientation of the lateral ethyl chains: in moleculeA, they are both on the same side of the molecule whereas in moleculeB, one diethylfluorene moiety has undergone a 180° rotation such that the two pairs of ethyl residues appear on opposite sides of the molecule. The fluorene ring systems subtend dihedral angles of 31.37 (4) and 43.18 (3)° in moleculesAandB, respectively. Hence the two fluorene moieties are tilted slightly toward one another. This may be due to the presence of intermolecular C—H...π interactions between neighboring molecules. The lateral ethyl chains (excluding H atoms) are also almost planar, with each pair almost perpendicular to the plane of the fluorene system to which they are attached with dihedral angles between the ethyl and fluorene planes in the range 86.04 (8)–89.5 (1)°.

scholarly journals 2,2′-Bis{8-[(benzylamino)methylidene]-1,6-dihydroxy-5-isopropyl-3-methylnaphthalen-7(8H)-one}

2013 ◽  
Vol 69 (11) ◽  
pp. o1626-o1627
Author(s):  
Shukhrat M. Hakberdiev ◽  
Samat A. Talipov ◽  
Davranbek N. Dalimov ◽  
Bakhtiyar T. Ibragimov
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Supramolecular Architecture ◽  
Asymmetric Unit ◽  
Ring Systems ◽  
Compound C ◽  
Phenyl Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C44H44N2O6, contains two independent molecules with similar conformations. The dihydronaphthalene ring systems are approximately planar [maximum deviations = 0.036 (2), 0.128 (2), 0.0.24 (2) and 0.075 (2) Å]. The dihedral angle between two dihydronaphthalene ring systems is 83.37 (4)° in one molecule and 88.99 (4)° in the other. The carbonyl O atom is linked with the adjacent hydroxy and imino groupsviaintramolecular O—H...O and N—H...O hydrogen bonds. In the crystal, molecules are linked through O—H...O hydrogen bonds into layers parallel to (001), and adjacent layers are further stacked by π–π interactions between dihydronaphthalene and phenyl rings into a three-dimensional supramolecular architecture. In the crystal, one of the isopropyl groups is disordered over two positions with an occupancy ratio of 0.684 (8):0.316 (8).

scholarly journals 1-(4-Bromobenzyl)-2-(4-bromophenyl)-1H-benzimidazole

2014 ◽  
Vol 70 (5) ◽  
pp. o610-o611
Author(s):  
Hua-Jun Ma ◽  
Zhi-Rong Qu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Compound C ◽  
The Mean ◽  
Benzimidazole Group

There are two molecules in the asymmetric unit of the title compound, C20H14Br2N2. In the first, the dihedral angles between the mean plane of the benzimidazole group and those of the 4-bromobenzyl and 4-chlorophenyl groups are 50.72 (17) and 71.29 (16)°, respectively, while the corresponding angles in the second molecule are 42.09 (16) and 89.05 (17)°. The 4-bromobenzyl and 4-bromophenyl groups make an angle of 68.1 (2) and 85.1 (21)° with each other in the two molecules. In the crystal, weak C—H...N and C—H...Br hydrogen bonds link the molecules along thec-axis direction. Br...Br interactions [3.5733 (9)Å] are also observed.

scholarly journals (1S,2R,8R)-11-Amino-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodec-10-en-9-one

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
Mustapha Ait Elhad ◽  
Ahmed Benharref ◽  
Lahcen El Ammari ◽  
Mohamed Saadi ◽  
Abdelouahd Oukhrib ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Monoclinic Space Group ◽  
Boat Conformation ◽  
Asymmetric Unit ◽  
Space Group ◽  
Axis Direction ◽  
Compound C ◽  
Independent Molecules

The title compound, C16H23Cl2NO, crystallizes in the monoclinic space groupP21with two independent molecules (AandB) in the asymmetric unit. They have essentially the same conformation. Each molecule is built up from fused six- and seven-membered rings and an additional three-membered ring. The six-membered ring has an envelope conformation, with the C atom belonging to the three-membered ring forming the flap, while the seven-membered ring displays a boat conformation. In the crystal, molecules are linked into chains propagating along thea-axis direction by N—H...O hydrogen bonds.

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