Table 2 Atomic coordinates (Å × 10 4 ) and equivalent isotropic displacement parameters (Å 2 × 10 3 ) for 5-Methoxy-5,6-diphenyl-4,5-dihydro-2 H -1,2,4-triazine-3-thione
X | Y | Z | U(eq) | |
|---|---|---|---|---|
C(1) | −696(15) | 3792(16) | 7896(9) | 22 (3) |
C(2) | −1824(14) | 2391(16) | 8841(8) | 21 (3) |
C(4) | 447(17) | 1973(2) | 9603(12) | 35 (4) |
C(5) | −3268(14) | 1621(17) | 8654(9) | 22 (3) |
C(6) | −3661(16) | 440(18) | 9104(10) | 28(4) |
C(7) | −5008(17) | −187(2) | 8934(11) | 34 (4) |
C(8) | −5965(17) | 366(2) | 8323(11) | 34 (4) |
C(9) | −5577(18) | 1524(2) | 7869(11) | 35 (4) |
C(10) | −4230(17) | 2147(19) | 8036(10) | 29 (4) |
C(11) | −1928(14) | 4053(17) | 9152(9) | 21 (3) |
C(12) | −2516(14) | 4336(18) | 9839(9) | 23 (3) |
C(13) | −2303(16) | 3307(2) | 10454(9) | 28 (4) |
C(14) | −2771(18) | 3707(2) | 11109(10) | 32 (4) |
C(15) | −3463(17) | 5101(2) | 11161(10) | 34 (4) |
C(16) | −3700(17) | 6122(2) | 10550(11) | 32 (4) |
C(17) | −3235(15) | 5741(19) | 9895(10) | 27 (3) |
N(1) | −1237(13) | 2508(15) | 8152(8) | 24 (3) |
N(2) | −907(14) | 5145(15) | 8234(8) | 27 (3) |
N(3) | −1504(13) | 5298(14) | 8857(8) | 25 (3) |
S(1) | 161(4) | 3790(4) | 7165(2) | 29 (17) |
O(1) | −959(10) | 1409(12) | 9364(6) | 24 (3) |