scholarly journals Two polymorphs oftrans-[3-(3-nitrophenyl)oxiran-2-yl](phenyl)methanone

2016 ◽  
Vol 72 (7) ◽  
pp. 1054-1059
Author(s):  
Fred H. Greenberg ◽  
Alexander Y. Nazarenko
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Compound C ◽  
Polymorphic Forms

The title compound, C15H11NO4, crystallizes in two polymorphic forms, centrosymmetric monoclinic and chiral orthorhombic. The geometry of the molecules in the two polymorphs is slightly different, possibly due to intermolecular interactions. There are no classical hydrogen bonding in these two structures. However, a number of C—H...O intermolecular interactions, involving both O atoms of the nitro as well the benzoyl groups, stabilize the crystal structures.

scholarly journals Methyl 3-(4-hydroxyphenyl)propionate

IUCrData ◽  
2018 ◽  
Vol 3 (11) ◽  
Author(s):  
Moaz M. Abdou ◽  
Magdalini Matziari ◽  
Paul M. O'Neill ◽  
Eric Amigues ◽  
Ruixue Zhou ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Phenyl Ring ◽  
Space Group ◽  
Compound C ◽  
Phenolic Group

The title compound, C10H12O3, crystallizes in the orthorhombicP212121space group. The structure contains a phenolic group with the OH being coplanar with the phenyl ring. The structure exhibits significant hydrogen bonding between the O—H group of one molecule and the CO group of an adjacent one. These O—H...O=C interactions form chains of molecules parallel to thebaxis. No π–π or C—H...π intermolecular interactions are observed.

scholarly journals 2-(Octadecylsulfanyl)-1,3-thiazole

IUCrData ◽  
2020 ◽  
Vol 5 (2) ◽  
Author(s):  
Joseph E. Muller II ◽  
Laura R. Osborn ◽  
Joseph R. Traver ◽  
Patrick C. Hillesheim ◽  
Matthias Zeller ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Alkyl Chain ◽  
Monoclinic Space Group ◽  
Orthorhombic Symmetry ◽  
Asymmetric Unit ◽  
Space Group ◽  
Alkyl Chains ◽  
Compound C

The title compound, C21H39NS2, crystallizes with two molecules in the asymmetric unit, both having a linear 18-carbon alkyl chain bound through a thioether group. No π–π stacking or hydrogen bonding is observed. The orientation of the alkyl chains facilitates intermolecular interactions between te chains. The structure is metrically orthorhombic but crystallizes in the monoclinic space group P21 and was found to be twinned by pseudomerohedry (emulating orthorhombic symmetry) and by inversion. The twin factions refined to 0.37 (4), 0.13 (4), 0.31 (5), and 0.19 (4).

scholarly journals Crystal structure of diethyl 3-(3-chlorophenyl)-2,2-dicyanocyclopropane-1,1-dicarboxylate

2016 ◽  
Vol 72 (2) ◽  
pp. 253-256
Author(s):  
Nóra Veronika May ◽  
Gyula Tamás Gál ◽  
Zsolt Rapi ◽  
Péter Bakó
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Intermolecular Interactions ◽  
Layered Structure ◽  
Title Compound ◽  
Molecular Conformation ◽  
Two Dimensional ◽  
Free Molecule ◽  
Compound C

In the racemic title compound, C17H15ClN2O4, which has been synthesized and the crystal structure of the solvent-free molecule determined, the angle between the planes of the benzene and cyclopropane rings is 54.29 (10)°. The molecular conformation is stabilized by two weak intramolecular C—H...Ocarboxylinteractions. In the crystal, C—H...O hydrogen bonds form centrosymmetric cyclicR22(10) dimers which are linked into chain substructures extending alongc. Further C—H...Nnitrilehydrogen bonding, including a centrosymmetric cyclicR22(14) association, link the chain substructures, forming a two-dimensional layered structure extending across the approximateabplane. No significant π–π or halogen–halogen intermolecular interactions are present in the crystal.

2,4,6-Trimethylpyridine-3,5-dicarbonitrile

2006 ◽  
Vol 62 (7) ◽  
pp. o2765-o2767
Author(s):  
Hong-Li Wang ◽  
Bin Zhang ◽  
Yi Dai
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Hydrogen Bonding Interactions

The title compound, C10H9N3, is essently planar, except for the methyl H atoms. The asymmetric unit consists of two molecules. In the crystal structure, weak intramolecular C—H...N hydrogen-bonding interactions occur, linking the molecules into chains propagating along the a axis.

scholarly journals Crystal structure ofN1-phenyl-N4-[(quinolin-2-yl)methylidene]benzene-1,4-diamine

2014 ◽  
Vol 70 (9) ◽  
pp. o905-o906 ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Ashraf Mashrai ◽  
Saleem Garandal ◽  
M. Shahid
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Phenyl Ring ◽  
Bond Angle ◽  
Ring System ◽  
Dihedral Angles ◽  
Quinoline Ring ◽  
Compound C

In the title compound, C22H17N3, the dihedral angles between the central benzene ring and the terminal phenyl ring and quinoline ring system (r.m.s. deviation = 0.027 Å) are 44.72 (7) and 9.02 (4)°, respectively, and the bond-angle sum at the amine N atom is 359.9°. In the crystal, the N—H group is not involved in hydrogen bonding and the molecules are linked by weak C—H...π interactions, generating [010] chains.

2-Hydroxy-3-methoxybenzaldehyde (pyridinium-4-ylcarbonyl)hydrazone chloride hemihydrate

2006 ◽  
Vol 62 (5) ◽  
pp. o2043-o2044 ◽  
Author(s):  
Shao-Wen Chen ◽  
Han-Dong Yin ◽  
Da-Qi Wang ◽  
Xia Kong ◽  
Xiao-Fang Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Compound C

The crystal structure of the title compound, C14H14ClN3O3 +·Cl−·0.5H2O, exhibits O—H...O, C—H...O, C—H...Cl, N—H...Cl and O—H...Cl hydrogen bonds. The chloride anions participate in extensive hydrogen bonding with the aminium cations and link molecules through multiple N—H+...Cl− interactions.

3-n-Butyl-2-methoxy-1-benzothieno[3,2-d]pyrimidin-4(3H)-one

2006 ◽  
Vol 62 (4) ◽  
pp. o1319-o1320 ◽  
Author(s):  
Min-Hui Cao ◽  
Sheng-Zhen Xu ◽  
Yang-Gen Hu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Thiophene Ring ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

The title compound, C15H16N2O2S, contains a five-membered thiophene ring fused to a benzene ring and a substituted pyrimidinone ring. All three rings in each of the independent molecules of the asymmetric unit lie in approximately the same plane. The crystal structure is stabilized by intermolecular C—H...O hydrogen bonding and π–π stacking interactions.

The antioxidant methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate

2014 ◽  
Vol 70 (11) ◽  
pp. 1050-1053 ◽  
Author(s):  
Xiang Li ◽  
Zhi-Gang Wang ◽  
Hou-He Chen ◽  
Sheng-Gao Liu
Keyword(s):  
Hydrogen Bonding ◽  
Dimethyl Sulfoxide ◽  
Methyl Acrylate ◽  
Title Compound ◽  
Intermolecular Hydrogen Bonding ◽  
Tert Butyl ◽  
Ester Carbonyl ◽  
Compound C ◽  
Steric Crowding

The title compound, C18H28O3, was prepared by the reaction of 2,6-di-tert-butylphenol with methyl acrylate under basic conditions using dimethyl sulfoxide as the promoter. The structure of this antioxidant indicates significant strain between theortho tert-butyl substituents and the phenolic OH group. In spite of the steric crowding of the OH group, it participates in intermolecular hydrogen bonding with the ester carbonyl O atom.

scholarly journals Crystal structure of zwitterionic 2-[bis(2-methoxyphenyl)phosphaniumyl]-4-methylbenzenesulfonate monohydrate dichloromethane monosolvate

2016 ◽  
Vol 72 (2) ◽  
pp. 229-232
Author(s):  
Hongyang Zhang ◽  
Ge Feng ◽  
Alexander S. Filatov ◽  
Richard F. Jordan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Water Molecules ◽  
Sulfonate Group ◽  
Centrosymmetric Dimer ◽  
Bond Lengths ◽  
Compound C

In the title compound, C21H21O5PS·H2O·CH2Cl2, the phosphonium–sulfonate zwitterion has the acidic H atom located on the P atom rather than the sulfonate group. The S—O bond lengths [1.4453 (15)–1.4521 (14) Å] are essentially equal. In the crystal, the water molecules bridge two zwitterionsviaOwater—H...Osulfonatehydrogen bonds into a centrosymmetric dimer. The dimers are further linked by weak CAryl—H...Osulfonatehydrogen bonds into chains extending along [100]. The PH+group is not involved in intermolecular interactions.

scholarly journals (S)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid

IUCrData ◽  
2020 ◽  
Vol 5 (7) ◽  
Author(s):  
Kathleen S. Lee ◽  
Luke Turner ◽  
Cynthia B. Powell ◽  
Eric W. Reinheimer
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Phenyl Ring ◽  
Room Temperature ◽  
Solid Phase ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Compound C ◽  
Independent Molecules

The title compound, C16H14FNO3, was synthesized via solid phase methods; it exhibits monoclinic (P21) symmetry at room temperature. The two independent molecules that comprise the asymmetric unit display distinct torsion angles of 173.2 (2) and 72.6 (2)° along the central sp 3 C—N bond. In the crystal, hydrogen bonding through N—H...O contacts couples the asymmetric unit molecules into pairs that align in layers extending parallel to (100) via additional O—H...O interactions. The phenyl ring of one independent molecule was found to be disordered over two sets of sites in a 0.55 (3):0.45 (3) ratio.

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