In the title compound, C(26)H(21)N(3)O, the phenyl ring of the 4-amino-anti-pyrine group and the heterocyclic five-membered ring along with its substituents, except for the N-bound methyl group (r.m.s. deviation = 0.0027 Å), form a dihedral angle of 54.20 (5)°. Two S(6) ring motifs are formed due to intra-molecular C-H⋯N and C-H⋯O hydrogen bonds. In the crystal, mol-ecules are linked into supra...

In the structure of the title compound, C(9)H(8)N(2)O, the amide group is twisted by a dihedral angle of 21.86 (7)° with respect to the benzene ring, while the planes of the benzene ring and cyano-methyl group form a dihedral angle of 53.13 (11)°. In the crystal structure, mol-ecules are linked via N-H⋯O hydrogen bonds, forming a chain running parallel to the a axis.

In the title compound, C(10)H(10)N(2)O(3), an inter-mediate in the synthesis of anthranilamide insecticides, all the non-H atoms except the nitro-group O atom lie on a crystallographic mirror plane. The H atoms of the methyl group are disordered over two sets of sites with equal occupancies. In the crystal structure, C-H⋯N links lead to chains of mol-ecules propagating in [100].

In the title 1,3,2-dioxaphospho-rinane derivative, C(10)H(11)Br(2)O(4)P, the 1,3,2-dioxaphospho-rinane ring adopts a chair conformation, having the P=O bond equatorially oriented and the phen-oxy group axially oriented. The bromo substituent is in an axial position opposite to the phen-oxy group and the bromo-methyl group is in an equatorial position opposite to the P=O bond. In the crystal pac...

A theoretical model for the ultrafast S1-->S0 internal conversion of cytosine is presented, in which a state switch from the initially prepared 1pipi* state to the out-of-plane deformed excited state of biradical character controls the rate of the S1(1pipi*) decay. This mechanism successfully accounts for the dramatically longer S1 lifetimes of 5-fluorocytosine and N-acetylcytosine relative to ...

There are two independent but virtually identical mol-ecules in the asymmetric unit of the title compound, C(13)H(19)ClN(2). Each mol-ecular skeleton displays an approximately planar structure except for the methyl group [the r.m.s. deviations for all 16 non-H atoms are 0.039 (mol-ecule 1) and 0.056 Å (mol-ecule 2)]. An E configuration is found about each of the C=C bonds. The crystal packing i...

The structure of the title compound, C(19)H(9)O, has been redetermined at 150 K. The redetermination is of significantly higher precision than a previous room-temperature structure [Ribar et al. (1974 ▶). Cryst. Struct. Commun.3, 323-325]. The C-N bond lengths for this redetermination are much closer to those observed in comparable structures, and the orientation of the methyl group with respec...

The structure of the title compound, C(7)H(6)N(6), consists of almost planar mol-ecules with C-N distances of 1.429 (2) and 1.428 (2) Å. The H atoms of the methyl group are disordered over two sites with occupancy factors of 0.69 and 0.31. The azide groups show typical geometry for covalently bound azides.

In the title mol-ecule, C(13)H(13)ClN(2)O(2), the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 89.16 (5)° with the benzene ring, which adopts an axial orientation. The carbonyl, acetyl and methyl groups each have an equatorial orientation. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds lead to a ...