Asiri Abdullah M, Faidallah Hassan M, Alamry Khalid A, Ng Seik Weng, Tiekink Edward R T
Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1157-8. doi: 10.1107/S1600536812011798. Epub 2012 Mar 24.
The title compound, C(23)H(17)N(3)O, has been previously described in a monoclinic P2(1)/c polymorph with Z = 4 [Asiri, Al-Youbi, Faidallah, Ng & Tiekink (2011). Acta Cryst. E67, o2449]. In the new monoclinic P2(1)/n form, with Z = 8, there are two independent mol-ecules, A and B, in the asymmetric unit. In both mol-ecules, the cyclo-hexa-1,3-diene ring has a screw-boat conformation, whereas it is a distorted half-chair in the original polymorph. There is a fold in each mol-ecule, as indicated by the dihedral angle between the benzene rings of the 1,2-dihydro-naphthalene and aniline residues of 33.19 (10)° (mol-ecule A) and 30.6 (10)° (mol-ecule B). The meth-oxy-benzene ring is twisted out of the plane of the aniline residue to which it is connected [dihedral angles = 49.22 (10) and 73.27 (10)°, in A and B respectively]. In the crystal, the two independent mol-ecules self-associate via N-H⋯N hydrogen bonds, generating a 12-membered {⋯HNC(3)N}(2) synthon. These are connected into a supra-molecular tape in the (-101) plane by N-H⋯O(meth-oxy) inter-actions. In the P2(1)/c polymorph, supra-molecular layers are formed by N-H⋯N and N-H⋯O inter-actions.
标题化合物C(23)H(17)N(3)O，先前已在单斜晶系P2(1)/c多晶型中被描述，Z = 4 [Asiri, Al-Youbi, Faidallah, Ng & Tiekink (2011). Acta Cryst. E67, o2449]。在新的单斜晶系P2(1)/n晶型中，Z = 8，不对称单元中有两个独立的分子，A和B。在这两个分子中，环己-1,3-二烯环具有船式构象，而在原始多晶型中它是扭曲的半椅式构象。每个分子中都有一个折叠，如1,2-二氢萘的苯环与苯胺残基之间的二面角所示，分子A为33.19 (10)°，分子B为30.6 (10)°。甲氧基苯环扭曲出与其相连的苯胺残基平面[二面角分别为A中的49.22 (10)°和B中的73.27 (10)°]。在晶体中，两个独立的分子通过N-H⋯N氢键自缔合，生成一个12元{⋯HNC(3)N}(2)合成子。这些通过N-H⋯O(甲氧基)相互作用在(-101)平面上连接成一个超分子带。在P2(1)/c多晶型中，超分子层由N-H⋯N和N-H⋯O相互作用形成。
