Crystal structure of (2-benzyloxypyrimidin-5-yl)boronic acid
نویسندگان
چکیده
The boronic acid group in the title compound, C11H11BN2O3, adopts a syn-anti conformation and is almost coplanar with the aromatic rings , making a dihedralangle of 3.8 (2)°. In the crystal, adjacent mol-ecules are linked via pairs of O-H⋯O inter-actions, forming centrosymmetric dimers with an R 2 (2)(8) motif, which have recently been shown to be energetically very favorable (Durka et al., 2012 ▶, 2014 ▶). The hy-droxy groups in an anti conformation are engaged in lateral hydrogen-bonding inter-actions with N atoms from neighbouring mol-ecules, leading to the formation of chains along [001]. O⋯B [3.136 (2) Å] and C(π)⋯B [3.393 (2) Å] stacking inter-actions in turn link parallel chains of centrosymmetric dimers into layers parallel to (010).
منابع مشابه
trans-Dichloridobis[(pyridin-4-yl)boronic acid-κN]palladium(II) dimethyl sulfoxide disolvate
In the title compound, [PdCl(2)(C(5)H(6)BNO(2))(2)]·2C(2)H(6)OS, the Pd(II) ion is located on an inversion centre and is four-coordinated in a trans square-planar geometry by two chloride ions and two (pyridin-4-yl)boronic acid ligands. The Pd-N and Pd-Cl distances are 2.023 (2) and 2.2977 (7) Å, respectively, and the average N-Pd-Cl angle is 90°. The dimethyl sulfoxide solvent mol-ecules play ...
متن کامل2-(6-Bromopyridin-2-yl)-6-methyl-[1,3,6,2]dioxazaborocane, a new stable (pyridin-2-yl)boronic acid derivative.
The crystal structure of the ®rst reported non-substituted N-methyldioxazaborocane con®rms that the presence of a methyl group attached to the N atom introduces an N!B bond length that is longer than that in a simple dioxazaborocane ring. The presence of more N atoms in the vicinity of the B atom in the title compound [systematic name: 6a-(6bromopyridin-2-yl)-3a-methyl-2,3,4,5-tetrahydro-1,6-di...
متن کاملCrystal structure of (2′,3,6′-trichlorobiphenyl-2-yl)boronic acid tetrahydrofuran monosolvate
The title compound, C12H8BCl3O2·C4H8O, crystallizes as a tetra-hydro-furan monosolvate. The boronic acid group adopts a syn-anti conformation and is significantly twisted along the carbon-boron bond by 69.2 (1)°, due to considerable steric hindrance from the 2',6'-di-chloro-phenyl group that is located ortho to the boronic acid substituent. The phenyl rings of the biphenyl are almost perpendicu...
متن کامل3-Carboxyphenylboronic acid–theophylline (1/1)
The title two-component mol-ecular crystal [systematic name: 3-(dihy-droxy-boran-yl)benzoic acid-1,3-dimethyl-7H-purine-2,6-dione (1/1)], C(7)H(7)BO(4)·C(7)H(8)N(4)O(2), comprises theophylline and 3-carb-oxy-phenyl-boronic acid mol-ecules in a 1:1 molar ratio. In the crystal, mol-ecules are self-assembled by O-H⋯O and N-H⋯N hydrogen bonds, generating layers parallel to (-209). The layers are st...
متن کامل3-Acetyl-2-fluoro-6H-benzo[c]chromen-6-one
The title compound, C15H9FO3, was obtained in a one-pot synthesis by Suzuki-Miyaura cross-coupling and nucleophilic substitution reaction of 4'-chloro-2',5'-di-fluoro-aceto-phenone with o-(meth-oxy-carbon-yl)phenyl-boronic acid. The asymmetric unit contains two crystallographically independent mol-ecules related by a non-crystallographic inversion centre. There are face-to-face stacking inter-a...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره 70 شماره
صفحات -
تاریخ انتشار 2014