scholarly journals 2,2′-Bithiophene-3,3′-dicarbonitrile

2012 ◽  
Vol 68 (8) ◽  
pp. o2542-o2542 ◽  
Author(s):  
J. Josephine Novina ◽  
G. Vasuki ◽  
Durai Karthik ◽  
K. R. Justin Thomas
Keyword(s):  
Crystal Structure ◽  
Bond Length ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Van Der Waals ◽  
Ring System ◽  
Van Der Waals Interactions ◽  
Maximum Deviation ◽  
Inversion Center ◽  
Compound C

The complete molecule of the title compound, C10H4N2S2, is generated by an inversion center situated at the mid-point of the bridging C—C bond. The bithiophene ring system is planar [maximum deviation = 0.003 (2) Å] and the central C—C bond length is 1.450 (2) Å. There are no significant intermolecular interactions in the crystal structure, which is stabilized by van der Waals interactions.

scholarly journals Crystal structure ofN,N′-bis(diisopropylphosphanyl)-4-methylpyridine-2,6-diamine

2014 ◽  
Vol 70 (9) ◽  
pp. o889-o890
Author(s):  
Berthold Stöger ◽  
Matthias Weil ◽  
Bernhard Bichler ◽  
Wolfgang Eder ◽  
Karl Kirchner
Keyword(s):  
Crystal Structure ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Van Der Waals ◽  
The Other ◽  
Maximum Deviation ◽  
Compound C ◽  
The Mean ◽  
Van Der Waals Contacts

In the molecule of the title compound, C18H35N3P2, the methylpyridine-2,6-diamine moiety is almost planar, with a maximum deviation of 0.0129 (9) Å for one of the amine N atoms. Whereas one of the P atoms is co-planar with this mean plane [deviation = 0.0158 (10) Å], the other P atom is considerably displaced out of the mean plane by 0.5882 (10) Å. In the crystal, no directional intermolecular interactions beyond van der Waals contacts could be identified.

scholarly journals Crystal structure of 3-bromomethyl-2-chloro-6-(dibromomethyl)quinoline

2015 ◽  
Vol 71 (5) ◽  
pp. o354-o355
Author(s):  
Kasirajan Gayathri ◽  
Palathurai S. Mohan ◽  
Judith A. K. Howard ◽  
Hazel A. Sparkes
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Van Der Waals ◽  
Ring System ◽  
Quinoline Ring ◽  
Π Interactions ◽  
Compound C ◽  
Van Der Waals Radii

In the title compound, C11H7Br3ClN, the quinoline ring system is approximately planar (r.m.s. = 0.011 Å). In the crystal, molecules are linked by C—H...Br interactions forming chains along [10-1]. The chains are linked by C—H...π and π–π interactions involving inversion-related pyridine rings [intercentroid distance = 3.608 (4) Å], forming sheets parallel to (10-1). Within the sheets, there are two significant short interactions involving a Br...Cl contact of 3.4904 (18) Å and a Br...N contact of 3.187 (6) Å, both of which are significantly shorter than the sum of their van der Waals radii.

scholarly journals Crystal structure of ethyl 2-{4-[(5-chloro-1-benzofuran-2-yl)methyl]-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl}acetate

2015 ◽  
Vol 71 (5) ◽  
pp. o291-o292 ◽  
Author(s):  
Youness Boukharsa ◽  
Lahcen El Ammari ◽  
Jamal Taoufik ◽  
Mohamed Saadi ◽  
M'hammed Ansar
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Maximum Deviation ◽  
Ethyl Group ◽  
Compound C ◽  
Dimensional Network

In the title compound, C18H17ClN2O4, the dihedral angle between the benzofuran ring system [maximum deviation 0.014 (2) Å] and the oxopyradizine ring is 73.33 (8)°. The structure is characterized by disorder of the ethyl group, which is split into two parts, with a major component of 0.57 (3), and the acetate carbonyl O atom, which is statistically disordered. In the crystal, the molecules are linked by C—H...O interactions, forming a three-dimensional network.

1,4-Bis[2,2-bis(trimethylsilyl)ethenyl]benzene

2007 ◽  
Vol 63 (11) ◽  
pp. o4357-o4357
Author(s):  
Piotr Pawluć ◽  
Bogdan Marciniec ◽  
Maciej Kubicki
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Compound C

The molecules of the title compound, C22H42Si4, are centrosymmetric. van der Waals interactions determine the crystal structure.

scholarly journals Crystal structure of 4-allylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine

2014 ◽  
Vol 70 (9) ◽  
pp. o1038-o1038 ◽  
Author(s):  
Mohammed El Fal ◽  
Youssef Ramli ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyrimidine Ring ◽  
Ring System ◽  
Maximum Deviation ◽  
Compound C ◽  
The Mean ◽  
Graph Set

In the title compound, C8H8N4S, the pyrazolo[3,4-d]pyrimidine ring system is essentially planar, with a maximum deviation from the mean plane of 0.025 (3) Å. The allyl group is disordered over two sites in a 0.512 (6):0.488 (6) ratio. In the crystal, molecules are linked by pairs of N—H...N hydrogen bonds, forming inversion dimers with anR22(8) graph-set motif.

Methyl [(1E)-(4-methoxyphenyl)methyleneamino]acetate

2007 ◽  
Vol 63 (3) ◽  
pp. o1459-o1461 ◽  
Author(s):  
Hector Novoa de Armas ◽  
Enriquez Ruiz Reyes ◽  
Esperanza Salfrán Solano ◽  
Margarita Suárez Navarro ◽  
Norbert Blaton
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Weak Interactions ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Compound C ◽  
Methoxycarbonyl Group

In the title compound, C11H13NO3, the methoxycarbonyl group is rotated out of the plane of the 4-methoxybenzyl group. The conformation found in the crystal structure differs from that computed in vacuo, where the two groups are coplanar. The crystal structure is stabilized by van der Waals interactions and weak interactions of the C—H...O type.

scholarly journals Crystal structure of (Z)-3-{3-(4-chlorophenyl)-2-[(4-chlorophenyl)imino]-2,3-dihydrothiazol-4-yl}-2H-chromen-2-one

2014 ◽  
Vol 70 (12) ◽  
pp. o1268-o1269
Author(s):  
M. Kayalvizhi ◽  
G. Vasuki ◽  
R. Raj Kumar ◽  
V. Rajeswar Rao
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Thiazole Ring ◽  
Maximum Deviation ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Chromene Ring

In the title compound, C24H14Cl2N2O2S, the 2H-chromene ring system is approximately planar, with a maximum deviation of 0.025 (2) Å. The thiazole ring is almost planar, with an r.m.s. deviation of 0.0022 Å, and makes a dihedral angle of 58.52 (7)° with the chromene ring system. The chromene ring system is inclined at angles of 58.3 (1) and 55.39 (9)° with respect to the two chlorophenyl rings. The two chlorophenyl rings show significant deviation from coplanarity, with a dihedral angle between them of 47.69 (8)°. The crystal structure features C—H...Cl interactions extending in (100) and propagating along thea-axis direction and weak π–π interactions [centroid–centroid separation = 3.867 (2) Å].

scholarly journals 9-(Dicyanomethylidene)fluorene–tetrathiafulvalene (1/1)

2012 ◽  
Vol 68 (4) ◽  
pp. o932-o932 ◽  
Author(s):  
Amparo Salmerón-Valverde ◽  
Sylvain Bernès
Keyword(s):  
Crystal Structure ◽  
Charge Transfer ◽  
Title Compound ◽  
Ring System ◽  
Stacking Interactions ◽  
Inversion Center ◽  
Organic Complex ◽  
Compound C ◽  
Fluorene Derivative ◽  
The Mean

The title compound, C16H8N2·C6H4S4, crystallizes with the fluorene derivative placed in a general position and two half tetrathiafulvalene (TTF) molecules, each completed to a whole molecule through an inversion center. The fluorene ring system is virtually planar (r.m.s. deviation from the mean plane = 0.027 Å) and the dicyano group is twisted from the fluorene plane by only 3.85 (12)°. The TTF molecules are also planar, and their central C=C bond lengths [1.351 (8) and 1.324 (7) Å] compare well with the same bond length in neutral TTF (ca1.35 Å). These features indicate that no charge transfer occurs between molecules in the crystal; the compound should thus be considered a cocrystal rather than an organic complex. This is confirmed by the crystal structure, in which no significant stacking interactions are observed between molecules.

scholarly journals Crystal structure oftrans-1-{2-[4-(dimethylamino)phenyl]ethyl}-4-[2-(pyren-1-yl)ethyl]cyclohexane

2015 ◽  
Vol 71 (8) ◽  
pp. o629-o630
Author(s):  
Sreevidya Thekku Veedu ◽  
Simone Techert
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Twin Domain ◽  
Compound C ◽  
The Mean

The title compound, C34H37N, is a pyrene derivative in which the pyrene ring system is linked to an ethylcyclohexane unit which, in turn, carries a [4-(dimethylamino)phenyl]ethyl substituent in theparaposition. The central cyclohexane ring has a chair conformation, with the exocyclic C—C bonds in equatorial orientations. The benzene ring is inclined to the mean plane of the pyrene ring system [maximum deviation = 0.038 (4) Å] by 14.84 (15)°. In the crystal, molecules are linked by C—H...π interactions, forming chains propagating along [010]. The crystal was refined as a non-merohedral twin [domain ratio = 0.9989 (4):0.0011 (4)].

scholarly journals Crystal structure of 1,1,2,2-tetramethyl-1,2-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)disilane

2015 ◽  
Vol 71 (11) ◽  
pp. o888-o888 ◽  
Author(s):  
Christian Godemann ◽  
Anke Spannenberg ◽  
Torsten Beweries
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Bond Length ◽  
Intermolecular Interactions ◽  
Torsion Angle ◽  
Title Compound ◽  
Molecular Packing ◽  
Steric Strain ◽  
Compound C ◽  
Supramolecular Chains

The molecular structure of the title compound, C22H38Si2, features atransarrangement of the cyclopentadienyl rings to avoid steric strain [C—Si—Si—C torsion angle = −179.0 (5)°]. The Si—Si bond length is 2.3444 (4) Å. The most notable intermolecular interactions in the molecular packing are C—H...π contacts that lead to the formation of wave-like supramolecular chains along thebaxis.

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