Abstract
In the title molecule, C26H25Br3N2, a dihedral angle of 6.15 (10)° is present between the carbazole and benzene ring systems with an E conformation about the C=C bond [1.335 (4) Å]. The butyl group is almost perpendicular to the carbazole plane [C—N—C—C torsion angle = −98.7 (3)°]. In the crystal, supramolecular double chains along [-7,18,-16] are formed via C—H⋯Br and π–π interactions [centroid(carbazole five-membered ring)⋯centroid(carbazole six-membered ring) distance = 3.6333 (13) Å].
Highlights
Agilent SuperNova Dual diffractometer with an Atlas detectormin = 0.81 e Å3 a Organic Materials Laboratory, Department of Chemistry, Indian Institute of Technology Roorkee, Roorkee 247 667, India, bDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia, and cChemistry Department, Faculty of Science, King Abdulaziz University, PO Box 80203 Jeddah, Saudi Arabia Hydrogen-bond geometry (Å, ). Symmetry code: (i) x þ 1; y 1; z þ 1. R factor = 0.032; wR factor = 0.092; data-to-parameter ratio = 17.1. 6.15 (10) is present between the carbazole and benzene ring systems with an E conformation about the C C bond [1.335 (4) Å]. The butyl group is almost perpendicular to the carbazole plane [C—N—C—C torsion angle = 98.7 (3) ]. In the crystal, supramolecular double chains along [7,18,16] are formed via C—H Br and – interactions [centroid(carbazole five-membered ring) centroid(carbazole six-membered ring) distance = 3.6333 (13) Å]
The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry
The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2
Summary
min = 0.81 e Å3 a Organic Materials Laboratory, Department of Chemistry, Indian Institute of Technology Roorkee, Roorkee 247 667, India, bDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia, and cChemistry Department, Faculty of Science, King Abdulaziz University, PO Box 80203 Jeddah, Saudi Arabia Hydrogen-bond geometry (Å, ). Symmetry code: (i) x þ 1; y 1; z þ 1. R factor = 0.032; wR factor = 0.092; data-to-parameter ratio = 17.1. 6.15 (10) is present between the carbazole and benzene ring systems with an E conformation about the C C bond [1.335 (4) Å]. The butyl group is almost perpendicular to the carbazole plane [C—N—C—C torsion angle = 98.7 (3) ]. In the crystal, supramolecular double chains along [7,18,16] are formed via C—H Br and – interactions [centroid(carbazole five-membered ring) centroid(carbazole six-membered ring) distance = 3.6333 (13) Å].
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