Isopentyltriphenylphosphonium bromide methanol solvate

2006 ◽  
Vol 62 (7) ◽  
pp. o2941-o2942
Author(s):  
Edmund W. Czerwinski
Keyword(s):  
Title Compound ◽  
Solvent Molecule ◽  
Extended Conformation ◽  
Compound C ◽  
Phenyl Rings ◽  
Bromide Ion ◽  
Hydrogen Bonded

At 102 K, the isopentyl group of the title compound, C23H26P+·Br−, is in the extended conformation. The phenyl rings are in the propeller configuration usually found in this family of triphenylphosphonium compounds. The methanol solvent molecule is hydrogen bonded to the bromide ion.

scholarly journals (E)-tert-Butyl 2-(5-{[4-(dimethylamino)phenyl]diazenyl}-2,6-dioxo-1H-pyrimidin-3-yl)acetate dichloromethane monosolvate

2014 ◽  
Vol 70 (5) ◽  
pp. o556-o557
Author(s):  
Robert H. E. Hudson ◽  
Mohamed E. Moustafa ◽  
Paul D. Boyle
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Solvent Molecule ◽  
Tert Butyl ◽  
Compound C ◽  
Phenyl Rings ◽  
Graph Set ◽  
Short Contacts

In the title compound, C18H23N5O4·CH2Cl2, the dichloromethane solvent molecule is disordered over two sets of sites in a 0.630 (13):0.370 (13) ratio. The dihedral angle between the uracil and phenyl rings is 30.2 (1)°. In the crystal, the principal interactions are N—H...O hydrogen bonds, which link uracil units across centres of symmetry, forming eight-membered rings with anR22(8) graph-set motif. The structure also displays C—H...O and C—H...Cl hydrogen bonds. Intramolecular C—H...O short contacts are also observed.

scholarly journals 2,3,5-Triphenyl-2H-tetrazol-3-ium bromide ethanol monosolvate

2012 ◽  
Vol 68 (8) ◽  
pp. o2566-o2566
Author(s):  
Hoong-Kun Fun ◽  
Tze Shyang Chia ◽  
Gamal A. E. Mostafa ◽  
Mohamed M. Hefnawy ◽  
Hatem A. Abdel-Aziz
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Solvent Molecule ◽  
Infinite Chain ◽  
Tetrazole Ring ◽  
Dihedral Angles ◽  
Component Ratio ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C19H15N4+·Br−·C2H5OH, the tetrazole ring makes dihedral angles of 57.44 (9), 50.92 (9) and 4.65 (8)° with the attached phenyl rings. In the crystal, the cation and the anion are linked to each other by intermolecular C—H...Br hydrogen bonds into an infinite chain along thebaxis. The anion and the ethanol solvent molecule are linked by an O—H...Br hydrogen bond. The crystal studied was an inversion twin with a refined component ratio of 0.632 (5):0.368 (5).

2-Amino-4,6-bis(phenylthio)pyrimidine

2000 ◽  
Vol 57 (1) ◽  
pp. o26-o27 ◽  
Author(s):  
Daniel E. Lynch ◽  
Ian McClenaghan
Keyword(s):  
Title Compound ◽  
Pyrimidine Ring ◽  
Dihedral Angles ◽  
One Dimensional ◽  
Compound C ◽  
Phenyl Rings ◽  
Hydrogen Bonded

The structure of the title compound, C16H13N3S2, (I), consists of molecules that associateviaN—H...N and N—H...S interactions to form a linear one-dimensional hydrogen-bonded chain. The dihedral angles between the two phenyl rings and the pyrimidine ring are 74.94 (7) and 75.47 (7)°.

2-Amino-4,6-bis(4-chlorophenylthio)pyrimidine

2000 ◽  
Vol 57 (1) ◽  
pp. o11-o12 ◽  
Author(s):  
Daniel E. Lynch ◽  
Ian McClenaghan
Keyword(s):  
Title Compound ◽  
Pyrimidine Ring ◽  
Dihedral Angles ◽  
One Dimensional ◽  
Compound C ◽  
Phenyl Rings ◽  
Hydrogen Bonded

The structure of the title compound, C32H22Cl4N6S4, (I), comprises two unique molecules that separately associateviaa three-centre N—H...N/S interaction to form two linear one-dimensional hydrogen-bonded chains. The dihedral angles between the two phenyl rings and the pyrimidine ring for each molecule are 84.6 (1) and 87.8 (1)°, and 83.9 (1) and 80.1 (1)°.

scholarly journals 2-(2-Hydroxyethylamino)-3-phenyl-1-benzofuro[3,2-d]pyrimidin-4(3H)-one dichloromethane hemisolvate

2009 ◽  
Vol 65 (6) ◽  
pp. o1330-o1330
Author(s):  
Zheng-Hong Zhang ◽  
Xiao-Ling Liu ◽  
Long-Ju Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Solvent Molecule ◽  
Maximum Deviation ◽  
Special Position ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Fused Ring ◽  
Phenyl Rings

In the title compound, C18H15N3O3·0.5CH2Cl2, the fused ring benzofuro[2,3-d]pyrimidine system is essentially planar [maximum deviation 0.029 (1) Å]. The planes of the pyrimidinone and phenyl rings are nearly perpendicular [dihedral angle = 87.50 (14)°]. The packing of the molecules in the crystal structure is governed mainly by intermolecular O—H...O and N—H...O hydrogen-bonding interactions and intermolecular π–π interactions between benzofuro[3,2-d]pyrimidine units [the interplanar distances areca3.4 and 3.5 Å, and the distances between adjacent ring centroids are in the range 3.64 (1)–3.76 (1) Å]. The dichloromethane solvent molecule lies on a special position.

2-(4-Chlorophenyl)-N-{3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-3-methylbutanamide ethanol solvate

2006 ◽  
Vol 62 (5) ◽  
pp. o1836-o1838
Author(s):  
Jing-Li Cheng ◽  
Fang-Lin Wei ◽  
Wen-Jun Gui ◽  
Guo-Nian Zhu
Keyword(s):  
Hydrogen Bond ◽  
Title Compound ◽  
Cyano Group ◽  
Solvent Molecule ◽  
Hydroxyl Group ◽  
Asymmetric Unit ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Ethanol Solvate ◽  
Hydrogen Bonded

In the title compound, C22H16Cl3F3N4O·C2H6O, the asymmetric unit consists of one molecule of C22H16Cl3F3N4O and one ethanol solvent molecule which are connected through an N—H...O hydrogen bond. The H atom of the hydroxyl group of the solvent molecule is hydrogen bonded to the N atom of the cyano group. These hydrogen-bond interactions result in the formation of zigzag chains parallel to the a axis.

N∊-Benzyloxycarbonyl-Nα-(2-nitrobenzenesulfonyl)-L-lysine

2000 ◽  
Vol 57 (1) ◽  
pp. o48-o49
Author(s):  
José Giraldés ◽  
Mark L. McLaughlin ◽  
Frank R. Fronczek
Keyword(s):  
Hydrogen Bond ◽  
Intramolecular Hydrogen Bond ◽  
Title Compound ◽  
Intermolecular Hydrogen Bond ◽  
Cooh Group ◽  
Extended Conformation ◽  
Compound C ◽  
Intramolecular Hydrogen ◽  
Hydrogen Bonded

The title compound, C20H23N3O8S, is in an extended conformation. The COOH group does not form hydrogen-bonded carboxyl dimers, but forms an intermolecular hydrogen bond with the NCOO carbonyl O atom [O...O 2.666 (2) Å]. The N atom bonded to S is pyramidal, and forms a bifurcated intramolecular hydrogen bond with carboxy and nitro O atoms.

scholarly journals N-Benzyl-2-hydroxyethanaminium cyanurate

2013 ◽  
Vol 69 (12) ◽  
pp. o1741-o1742 ◽  
Author(s):  
Carlos Abraham Contreras-Espejel ◽  
Marco A. García-Eleno ◽  
Ericka Santacruz-Juárez ◽  
Reyna Reyes-Martínez ◽  
David Morales-Morales
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Keto Form ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Phenyl Rings ◽  
Hydrogen Bonded

In the cation of the title compound C9H14ON+·C3H2O3N3−, the benzylamine C—N bond subtends a dihedral angle of 78.3 (2)° with the phenyl ring. The cyanurate anion is in the usual keto-form and shows an r.m.s. deviation from planarity of 0.010 Å. In the crystal, the cyanurate anions form N—H...O hydrogen-bonded zigzag ribbons along [001]. These ribbons are crosslinked by the organocationsviaO—H...N and N—H...O hydrogen bonds, forming bilayers parallel to (010) which are held together along [010] by slipped π–π interactions between pairs of cyanurate anions [shortest contact distances C...C = 3.479 (2), O...N = 3.400 (2); centroid–centroid distance=4.5946 (9) Å] and between cyanurate and phenyl rings [centroid–centroid distance = 3.7924 (12) Å, ring–ring angle = 11.99 (10)°].

scholarly journals Crystal structure of 5,10,15-triphenyl-20-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)porphyrin

2014 ◽  
Vol 70 (10) ◽  
pp. o1085-o1086
Author(s):  
Mathias O. Senge ◽  
Hans-Georg Eckhardt
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Central Region ◽  
Title Compound ◽  
Ring System ◽  
Compound C ◽  
Porphyrin Macrocycle ◽  
Phenyl Rings ◽  
Supramolecular Chains

In the title compound, C44H37BN4O2, the dihedral angle between the plane of the porphyrin macrocycle ring system [r.m.s. deviation = 0.159 (1) Å] and those of three phenyl rings are 66.11 (4), 74.75 (4) and 57.00 (4)°. The conformational distortion is characterized by a mixture of ruffled, saddle and in-plane distortion modes. In the crystal, the porphyrin molecules are linked by C—H...π interactions into supramolecular chains running along thea-axis direction. A pair of bifurcated N—H...(N,N) hydrogen bonds occur across the central region of the macrocycle.

scholarly journals 4-Fluoro-N-(4-hydroxybenzylidene)aniline

2014 ◽  
Vol 70 (8) ◽  
pp. o860-o860
Author(s):  
L. Jothi ◽  
G. Anuradha ◽  
G. Vasuki ◽  
R. Ramesh Babu ◽  
K. Ramamurthi
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Schiff Bases ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Axis Direction ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings

In the title compound, C13H10FNO, the benzene ring planes are inclined at an angle of 50.52 (8)°. A characteristic of aromatic Schiff bases withN-aryl substituents is that the terminal phenyl rings are twisted relative to the plane of the HC=N link between them. In this case, the HC=N unit makes dihedral angles of 10.6 (2) and 40.5 (2)° with the hydroxybenzene and flurobenzene rings, respectively. In the crystal, O—H...N and C—H...F hydrogen bonds lead to the formation of chains along thec-andb-axis directions, respectively. C—H...π contacts link molecules alongaand these contacts combine to generate a three-dimensional network with molecules stacked along theb-axis direction.

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