Unknown

Dataset Information

0

Tert-Butyl N-{4-methyl-3-[4-(3-pyrid-yl)pyrimidin-2-yl-oxy]phen-yl}carbamate.


ABSTRACT: In the mol-ecule of the title compound, C(21)H(22)N(4)O(3), the pyrimidine ring is oriented at dihedral angles of 0.51?(3) and 50.76?(3)° to the pyridine and benzene rings, respectively. In the crystal structure, inter-molecular N-H?N hydrogen bonds link the mol-ecules into centrosymmetric dimers, forming R(2) (2)(24) ring motifs; the dimers are linked by inter-molecular C-H?O hydrogen bonds into a two-dimensional network. ?-? contacts between the benzene rings and between the pyrimidine and pyridine rings [centroid-centroid distances = 3.891?(1) and 3.646?(1)?Å, respectively] may further stabilize the structure. Two weak C-H?? inter-actions are also present.

SUBMITTER: Tang SG 

PROVIDER: S-EPMC2977178 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

altmetric image

Publications

tert-Butyl N-{4-methyl-3-[4-(3-pyrid-yl)pyrimidin-2-yl-oxy]phen-yl}carbamate.

Tang Shi-Gui SG   Wang Jian-Qiang JQ   Guo Cheng C  

Acta crystallographica. Section E, Structure reports online 20090711 Pt 8


In the mol-ecule of the title compound, C(21)H(22)N(4)O(3), the pyrimidine ring is oriented at dihedral angles of 0.51 (3) and 50.76 (3)° to the pyridine and benzene rings, respectively. In the crystal structure, inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into centrosymmetric dimers, forming R(2) (2)(24) ring motifs; the dimers are linked by inter-molecular C-H⋯O hydrogen bonds into a two-dimensional network. π-π contacts between the benzene rings and between the pyrimidine and pyr  ...[more]

Similar Datasets

| S-EPMC2959623 | biostudies-literature
| S-EPMC2959588 | biostudies-literature
| S-EPMC3884429 | biostudies-literature
| S-EPMC2959675 | biostudies-literature
| S-EPMC2969253 | biostudies-literature
| S-EPMC2970119 | biostudies-literature
| S-EPMC3470377 | biostudies-literature
| S-EPMC3120597 | biostudies-literature
| S-EPMC3200972 | biostudies-literature
| S-EPMC4051064 | biostudies-literature